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 phenyl carbonate (non-preferred name)
Catalog ID
STL553634
SMILES CCCCCCCCC1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)Oc1ccccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C34H50O3 MW 506.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H50O3/c1-4-5-6-7-8-10-13-25-17-19-30-29-18-16-26-24-28(37-32(35)36-27-14-11-9-12-15-27)20-22-34(26,3)31(29)21-23-33(25,30)2/h9,11-12,14-16,25,28-31H,4-8,10,13,17-24H2,1-3H3InChIKey
VVQIDXMVROQASW-UHFFFAOYSA-NSynonyms
(1013dimethyl17octyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)phenylcarbonate
(3S8S9S10R13R14S17S)1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylphenylcarbonate
1013dimethyl17octyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylphenylcarbonate(nonpreferredname)
3826411
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)Oc1ccccc1
InChI=1SC34H50O3c145678101325171930291816262428(3732(35)362714119121527)202234(263)31(29)212333(2530)2h911121416252831H4810131724H213H3
MFCD01364288
ZINC000504303515
ZINC000504303518
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