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

Compound number:
MolPort-001-742-486
CAS number: 473-98-3
IUPAC:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
IUPAC traditional:
betulin
SMILES:
CC(=C)[C@@H]1CC[C@]2(CO)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 |r|
InChI key:
FVWJYYTZTCVBKE-ROUWMTJPSA-N
Molecular formula:
C30H50O2
Molecular weight: 442.728

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Catalog: Screening compound Ships out: 10 business days Purity: 90+% BY 1H NMR
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Catalog: Screening compound Ships out: 7 business days Purity: 98.5%
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Catalog: Screening compound Ships out: 5 business days Purity: 95
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Catalog: Building blocks Ships out: 2 business days Purity: >98% (HPLC), powder
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100 mg August 27, 2019 64.00 USD
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Catalog: Building blocks Ships out: 10 business days Purity: 98.0
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1 kg September 6, 2019 733.00 USD
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Catalog: Made to order Ships out: 15 business days Purity: >95%
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More Information

Compound Identifiers
Compound number: MolPort-001-742-486
CAS number: 473-98-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003978650
MFCD00016802
MFCD02114040
(1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol
(1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,1 1a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
(1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
(5S,17S,1R,2R,8R,9R,10R,13R,14R,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethy l-8-(1-methylvinyl)pentacyclo[11.8.0.0<2,10>.0<5,9>.0<14,19>]henicosan-17-ol
Betulin
betulinol, betuline, betulinic alcohol
lup-20(29)-ene-3,28-diol
lup-20(29)-ene-3?,28-diol
Lup-20(29)-ene-3b,28-diol
Trochol

InChI
InChI: 1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChI key: FVWJYYTZTCVBKE-ROUWMTJPSA-N

Calculated Properties
Molecular formula: C30H50O2
Molecular weight: 442.728

Other

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2019 MolPort, v3.11, release date 23-08-2019 16:00 (+0200). All rights reserved.
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