Vitas-M small molecule compound
(8xi,9xi,10xi,13xi,14xi,16alpha)-3,17,21-trihydroxy-16-methylpregnan-20-one
Catalog ID
STK366329
SMILES OCC(=O)[C@@]1(O)[C@H](C)CC2C1(C)CCC1C2CCC2C1(C)CCC(C2)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 C22H36O4 MW 364.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h13-18,23-24,26H,4-12H2,1-3H3/t13-,14?,15?,16?,17?,18?,20?,21?,22+/m1/s1InChIKey
OEUSFHQPBGKUNR-DRNQHASDSA-NSynonyms
(8xi9xi10xi13xi14xi16alpha)31721trihydroxy16methylpregnan20one
1((16R17R)317dihydroxy101316trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17yl)2hydroxyethanone
CC1CC2C3CCC4CC(CCC4(C3CCC2(C1(C(=O)CO)O)C)C)O
InChI=1SC22H36O4c11310181654141115(24)6820(142)17(16)7921(183)22(1326)19(25)1223h1318232426H412H213H3t1314?15?16?17?18?20?21?22+m1s1
MFCD02602451
OCC(=O)(C@@)1(O)(C@H)(C)CC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O
ZINC000004015090
ZINC000253498127
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