Vitas-M small molecule compound
(3alpha,8xi,9xi,14xi,17xi)-3,20-dihydroxypregnan-11-one
Catalog ID
STL564526
SMILES O[C@@H]1CC[C@]2(C(C1)CCC1C2C(=O)C[C@]2(C1CCC2C(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 C21H34O3 MW 334.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-17,19,22-23H,4-11H2,1-3H3/t12?,13?,14-,15?,16?,17?,19?,20+,21-/m1/s1InChIKey
OFWWSHNAQHDEIN-CIZDGXNTSA-NSynonyms
(3alpha8xi9xi14xi17xi)320dihydroxypregnan11one
(3R10S13S)3hydroxy17(1hydroxyethyl)1013dimethyl1234567891214151617tetradecahydrocyclopenta(a)phenanthren11one
(3R5R8S10S13S17S)3hydroxy17((S)1hydroxyethyl)1013dimethyltetradecahydro1Hcyclopenta(a)phenanthren11(2H)one
145705507
InChI=1SC21H34O3c112(22)1667171554131014(23)8920(132)19(15)18(24)1121(1617)3h1217192223H411H213H3t12?13?1415?16?17?19?20+21m1s1
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1C2C(=O)C(C@)2(C1CC(C@@H)2(C@@H)(O)C)C)C
ZINC000257357470
ZINC000257357477
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