(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Compound number:
MolPort-003-939-279
CAS number: 472-15-1
IUPAC:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
IUPAC traditional:
mairin
SMILES:
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
InChI key:
QGJZLNKBHJESQX-FZFNOLFKSA-N
Molecular formula:
C30H48O3
Molecular weight: 456.711
Solubility: not available
Sample Reformatting

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 7 business days Purity: n/a
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100 mg December 24, 2019 68.44 USD
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200 mg December 24, 2019 109.74 USD
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500 mg December 24, 2019 234.82 USD
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Catalog: Screening compound Ships out: 7 business days Purity: 99.7%
Last updated: last month In warehouse: 429.39 mg
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10 mg December 24, 2019 50.00 USD
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Catalog: Screening compound Ships out: 5 business days Purity: >=98%
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20 mg December 20, 2019 40.00 USD
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Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: > 3 months ago In warehouse: Unverified Salt: Free Base
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10 mg December 24, 2019 58.80 USD
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25 mg December 24, 2019 105.60 USD
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50 mg December 24, 2019 176.40 USD
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Catalog: Screening compound Ships out: 5 business days Purity: 95
Last updated: > 3 months ago In warehouse: 500.00 mg
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3 mg December 20, 2019 35.00 USD
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5 mg December 20, 2019 55.00 USD
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Catalog: Screening compound Ships out: 10 business days Purity: n/a
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100 mg December 27, 2019 45.00 USD
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250 mg December 27, 2019 50.00 USD
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500 mg December 27, 2019 75.00 USD
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Catalog: Screening compound Ships out: 20 business days Purity: >=97%
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50 mg January 10, 2020 41.30 USD
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100 mg January 10, 2020 79.06 USD
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250 mg January 10, 2020 155.76 USD
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Catalog: Building blocks Ships out: 2 business days Purity: 98% (HPLC)
Last updated: last month In warehouse: 88.90 g
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1 g December 17, 2019 107.00 USD
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5 g December 17, 2019 321.00 USD
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10 g December 17, 2019 534.00 USD
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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
Last updated: today In warehouse: 285.13 g
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50 mg December 24, 2019 28.00 USD
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100 mg December 24, 2019 51.00 USD
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1 g December 24, 2019 80.00 USD
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S&H to USA: 35.00 USD
S&H to World: 125.00 USD

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Catalog: Building blocks Ships out: 7 business days Purity: 98+%
Last updated: > 3 months ago In warehouse: Unverified
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25 mg December 24, 2019 87.00 USD
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50 mg December 24, 2019 123.00 USD
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100 mg December 24, 2019 174.00 USD
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S&H to USA: 95.00 USD
S&H to World: 95.00 USD

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Catalog: Building blocks Ships out: 5 business days Purity: >98%
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1 g December 20, 2019 273.36 USD
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5 g December 20, 2019 856.80 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 95%
Last updated: yesterday In warehouse: 15.00 g
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100 mg December 27, 2019 22.00 USD
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250 mg December 27, 2019 43.00 USD
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1 g December 27, 2019 80.00 USD
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S&H to USA: 80.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 98%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
50 mg December 27, 2019 72.00 USD
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100 mg December 27, 2019 108.00 USD
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1 g December 27, 2019 131.00 USD
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S&H to USA: 77.00 USD
S&H to World: 154.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: > 98%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
10 mg December 27, 2019 86.04 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-939-279
CAS number: 472-15-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004097714
MFCD00009619
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
3β-Hydroxy-20(29)-lupaene-28-oic Acid
3?-hydroxy-lup-20(29)-en-28-oic acid
Betulinic acid
BETULINICACID
Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3b)-
Lupatic acidBetulic acid

InChI
InChI: 1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
InChI key: QGJZLNKBHJESQX-FZFNOLFKSA-N

Calculated Properties
Molecular formula: C30H48O3
Molecular weight: 456.711

Other

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Compound Solubility
2019 MolPort, v3.29, release date 12-12-2019 12:00 (+0200). All rights reserved.
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