(1S,4S,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione

Compound number:
MolPort-039-052-398
CAS number: 981-15-7
IUPAC:
(1S,4S,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
IUPAC traditional:
(1S,4S,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0¹,⁷.0⁴,¹⁹.0¹³,¹⁸]nonadec-14-ene-9,16-dione
SMILES:
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O |r,t:1,THB:21:22:9:13.12,26:25:9:13.12|
InChI key:
WBBVXGHSWZIJST-LVDWTMBPSA-N
Molecular formula:
C20H24O7
Molecular weight: 376.405
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: > 98%
Last updated: today In warehouse: Unverified
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5 mg February 4, 2020 126.26 USD
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S&H to USA: 50.00 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >=98%
Last updated: last week In warehouse: Unverified
Pack size Ships out Price Qty
10 mg February 4, 2020 418.00 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: 99%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
5 mg February 11, 2020 219.00 USD
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10 mg February 11, 2020 334.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-039-052-398
CAS number: 981-15-7

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000139275507
Ailanthone

InChI
InChI: 1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20+/m0/s1
InChI key: WBBVXGHSWZIJST-LVDWTMBPSA-N

Calculated Properties
Molecular formula: C20H24O7
Molecular weight: 376.405

Other

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2020 MolPort, v3.34, release date 28-01-2020 13:00 (+0200). All rights reserved.
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