Vitas-M small molecule compound
(3beta,5alpha)-3-hydroxypregn-16-en-20-one
Catalog ID
STK801864
SMILES O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC=C2C(=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 C21H32O2 MW 316.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O2/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/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1InChIKey
SFXPZLCQRZASKK-CKBUFISISA-NSynonyms
566-61-0(3beta5alpha)3hydroxypregn16en20one
1((3S5S8R9S10S13S14S)3hydroxy1013dimethyl23456789101112131415tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
1((3S5S8R9S10S13S14S)3hydroxy1013dimethyl2345678911121415dodecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
16(5ALPHA)PREGNEN3BETAOL20ONE
16PREGNOLONE
3BETAHYDROXY5ALPHAPREGN16(17)ENE20ONE
3BETAHYDROXY5ALPHAPREGN16EN20ONE
566610
ALLOPREGNENOLONE
CC(=O)C1=CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
InChI=1SC21H32O2c113(22)1767181654141215(23)81020(142)19(16)91121(1718)3h61416181923H45712H213H3t14151618192021+m0s1
MFCD06738065
O(C@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC=C2C(=O)C)C)C
PREGN16EN20ONE3HYDROXY(3BETA5ALPHA)
ZINC000002120337
ZINC02120337
ZINC2120337
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.