Vitas-M small molecule compound
(5alpha,8xi,9xi,10xi,13xi,14xi,17xi)-3-hydroxypregnan-20-one
Catalog ID
STL561434
SMILES OC1CCC2([C@H](C1)CCC1C2CCC2(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 C21H34O2 MW 318.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15?,16?,17?,18?,19?,20?,21?/m0/s1InChIKey
AURFZBICLPNKBZ-AKYBIBFZSA-NSynonyms
(5ALPHA)3HYDROXYPREGNAN20ONE
(5alpha8xi9xi10xi13xi14xi17xi)3hydroxypregnan20one
1((3R8R10S13S17S)3hydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
1((5S)3hydroxy1013dimethyl23456789111214151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
24212108
3ALPHAHYDROXYALLOPREGNANE520ONE
InChI=1SC21H34O2c113(22)1767181654141215(23)81020(142)19(16)91121(1718)3h141923H412H213H3t1415?16?17?18?19?20?21?m0s1
O(C@@H)1CC(C@)2(C(C1)CC(C@@H)1C2CC(C@)2(C1CC(C@@H)2C(=O)C)C)C
ZINC000027704014
ZINC000253497549
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