Vitas-M small molecule compound
(3alpha,6alpha,8xi,9xi,14xi)-3,6-dihydroxyandrostan-17-yl acetate
Catalog ID
STL564393
SMILES O[C@@H]1CC[C@]2(C(C1)[C@@H](O)CC1C2CC[C@]2(C1CCC2OC(=O)C)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 C21H34O4 MW 350.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34O4/c1-12(22)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14?,15?,16?,17?,18+,19?,20-,21+/m1/s1InChIKey
HPRROXHWAYOSLI-GYIYZTFWSA-NSynonyms
((3R6S10R13S)36dihydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)acetate
(3alpha6alpha8xi9xi14xi)36dihydroxyandrostan17ylacetate
(3R5R6S8R10R13S17S)36dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17ylacetate
145705489
InChI=1SC21H34O4c112(22)25195415141118(24)171013(23)6820(172)16(14)7921(1519)3h13192324H411H213H3t1314?15?16?17?18+19?2021+m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)(C@@H)(O)C(C@@H)1C2CC(C@)2(C1CC(C@@H)2OC(=O)C)C)C
ZINC001848443594
ZINC001848443597
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