(1R,2R,4aS,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Compound number:
MolPort-035-706-464
CAS number: 119725-19-8
IUPAC:
(1R,2R,4aS,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC traditional:
(1R,2R,4aS,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
SMILES:
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |c:9|
InChI key:
OXVUXGFZHDKYLS-VCFAZYFWSA-N
Molecular formula:
C30H48O5
Molecular weight: 488.709
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >=98%
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More Information

Compound Identifiers
Compound number: MolPort-035-706-464
CAS number: 119725-19-8

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000064513896
MFCD20261007
2-Epitormentic acid

InChI
InChI: 1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19+,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1
InChI key: OXVUXGFZHDKYLS-VCFAZYFWSA-N

Calculated Properties
Molecular formula: C30H48O5
Molecular weight: 488.709

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2020 MolPort, v3.33, release date 22-01-2020 14:00 (+0200). All rights reserved.
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