Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi)-3-(acetyloxy)chol-5-en-24-oic acid
Catalog ID
STL525584
SMILES OC(=O)CCC(C1CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)C)C
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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 C26H40O4 MW 416.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h6,16,19-23H,5,7-15H2,1-4H3,(H,28,29)/t16?,19?,20?,21?,22?,23?,25-,26+/m0/s1InChIKey
JBALICPRCDQXRA-MLGZYAMVSA-NSynonyms
(4R)4((3R8S10R13R17R)3acetoxy1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)pentanoicacid
(8xi9xi14xi17xi20xi)3(acetyloxy)chol5en24oicacid
135639069
4((10~(R)13~(R))3acetyloxy1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren17yl)pentanoicacid
InChI=1SC26H40O4c116(51024(28)29)2189222076181519(3017(2)27)111325(183)23(20)121426(2122)4h6161923H5715H214H3(H2829)t16?19?20?21?22?23?2526+m0s1
MFCD01545836
OC(=O)CC(C@H)((C@H)1CCC2(C@)1(C)CCC1(C@H)2CC=C2(C@)1(C)CC(C@H)(C2)OC(=O)C)C
ZINC000002557377
ZINC001772491900
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