Vitas-M small molecule compound
(18xi,19xi)-3-hydroxyurs-12-en-28-oic acid
Catalog ID
STL146145
SMILES C[C@@H]1CC[C@]2(C(C1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CCC(C1(C)C)O)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H48O3 MW 456.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19?,21+,22-,23?,24?,27+,28-,29-,30+/m1/s1InChIKey
WCGUUGGRBIKTOS-SKBOKNTFSA-NSynonyms
(18xi19xi)3hydroxyurs12en28oicacid
(1R2S4aS6aS6bR10S12aR14bS)10hydroxy126a6b9912aheptamethyl12344a566a6b788a910111212a12b1314bicosahydropicene4acarboxylicacid
(2R4aS6aR6aS6bR8aR12aR)10hydroxy126a6b9912aheptamethyl234566a788a1011121314btetradecahydro1Hpicene4acarboxylicacid
C(C@@H)1CC(C@)2(C(C1C)C1=CC(C@H)3(C@@)((C@@)1(CC2)C)(C)CC(C@@H)1(C@)3(C)CCC(C1(C)C)O)C(=O)O
C(C@H)1CC(C@)2((C@@H)((C@@H)1C)C1=CCC3(C@@)((C@@)1(CC2)C)(C)CCC1(C@)3(C)CC(C@@H)(C1(C)C)O)C(=O)O
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O
InChI=1SC30H48O3c118101530(25(32)33)171628(6)20(24(30)19(18)2)892227(5)131223(31)26(34)21(27)111429(2228)7h81819212431H917H217H3(H3233)t1819?21+2223?24?27+282930+m1s1
MFCD08002258
ZINC000003941105
ZINC000012890906
Check stock
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