Vitas-M small molecule compound
(10R,13R)-17-(5-hydroxy-5-phenylhexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol (non-preferred name)
Catalog ID
STL524527
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(CCC(c2ccccc2)(O)C)C)C)C1)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 C31H46O2 MW 450.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H46O2/c1-21(14-19-31(4,33)22-8-6-5-7-9-22)26-12-13-27-25-11-10-23-20-24(32)15-17-29(23,2)28(25)16-18-30(26,27)3/h5-10,21,24-28,32-33H,11-20H2,1-4H3/t21?,24?,25?,26?,27?,28?,29-,30+,31?/m0/s1InChIKey
YTYFNWLHEUUCIW-GARHCPNESA-NSynonyms
(10~(R)13~(R))17(5hydroxy5phenylhexan2yl)1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3ol
(10R13R)17(5hydroxy5phenylhexan2yl)1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ol
(10R13R)17(5hydroxy5phenylhexan2yl)1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ol(nonpreferredname)
16395117
InChI=1SC31H46O2c121(141931(433)228657922)26121327251110232024(32)151729(232)28(25)161830(2627)3h5102124283233H1120H214H3t21?24?25?26?27?28?2930+31?m0s1
MFCD01543693
OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2C(CCC(c2ccccc2)(O)C)C)C)C1)C
ZINC000012653005
ZINC000253500193
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