Vitas-M small molecule compound
(3alpha,6alpha,8xi,9xi,14xi,17xi)-20-methyl-20,21-epoxypregnane-3,6-diol
Catalog ID
STL524869
SMILES O[C@@H]1CC[C@]2(C(C1)[C@@H](O)CC1C2CC[C@]2(C1CCC2C1(C)CO1)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 C22H36O3 MW 348.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36O3/c1-20-8-6-13(23)10-17(20)18(24)11-14-15-4-5-19(22(3)12-25-22)21(15,2)9-7-16(14)20/h13-19,23-24H,4-12H2,1-3H3/t13-,14?,15?,16?,17?,18+,19?,20-,21+,22?/m1/s1InChIKey
ZQSQEUPUOWBSRX-CWYOESIKSA-NSynonyms
(3~(R)6~(S)10~(R)13~(S))1013dimethyl17(2methyloxiran2yl)23456789111214151617tetradecahydro1~(H)cyclopenta(a)phenanthrene36diol
(3alpha6alpha8xi9xi14xi17xi)20methyl2021epoxypregnane36diol
(3R6S10R13S)1013dimethyl17(2methyloxiran2yl)hexadecahydro1Hcyclopenta(a)phenanthrene36diol
16395490
InChI=1SC22H36O3c1208613(23)1017(20)18(24)1114154519(22(3)122522)21(152)9716(14)20h13192324H412H213H3t1314?15?16?17?18+19?2021+22?m1s1
MFCD01082910
O(C@@H)1CC(C@)2(C(C1)(C@@H)(O)CC1C2CC(C@)2(C1CCC2C1(C)CO1)C)C
ZINC000012654801
ZINC000253500215
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