Vitas-M small molecule compound
10,13-dimethyl-17-octyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl butanoate (non-preferred name)
Catalog ID
STL553648
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)CCC
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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 C31H52O2 MW 456.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H52O2/c1-5-7-8-9-10-11-13-23-15-17-27-26-16-14-24-22-25(33-29(32)12-6-2)18-20-31(24,4)28(26)19-21-30(23,27)3/h14,23,25-28H,5-13,15-22H2,1-4H3InChIKey
RYQULPXHTIMWNN-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)butanoate
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylbutyrate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylbutanoate(nonpreferredname)
3796810
CCCCCCCC(C@H)1CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)CCC
InChI=1SC31H52O2c1578910111323151727261614242225(3329(32)1262)182031(244)28(26)192130(2327)3h14232528H5131522H214H3
MFCD01366429
ZINC000504153077
ZINC000504153080
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