Vitas-M small molecule compound
(2alpha,3beta,8xi,9xi,14xi)-2-methyl-17-oxoandrostan-3-yl benzoate
Catalog ID
STL542250
SMILES C[C@@H]1C[C@@]2(C)C(C[C@H]1OC(=O)c1ccccc1)CCC1C2CC[C@]2(C1CCC2=O)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 C27H36O3 MW 408.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36O3/c1-17-16-27(3)19(15-23(17)30-25(29)18-7-5-4-6-8-18)9-10-20-21-11-12-24(28)26(21,2)14-13-22(20)27/h4-8,17,19-23H,9-16H2,1-3H3/t17-,19?,20?,21?,22?,23-,26+,27+/m1/s1InChIKey
FODHMRRHZAVFBM-RSOVTBASSA-NSynonyms
1046762-43-9((2~(R)3~(R)10~(S)13~(S))21013trimethyl17oxo1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)benzoate
(2alpha3beta8xi9xi14xi)2methyl17oxoandrostan3ylbenzoate
(2R3R8R9S10S13S14S)21013trimethyl17oxohexadecahydro1Hcyclopenta(a)phenanthren3ylbenzoate
1046762439
17369935
C(C@@H)1C(C@@)2(C)C(C(C@H)1OC(=O)c1ccccc1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CCC2=O)C
InChI=1SC27H36O3c1171627(3)19(1523(17)3025(29)187546818)9102021111224(28)26(212)141322(20)27h48171923H916H213H3t1719?20?21?22?2326+27+m1s1
MFCD02114974
ZINC000006183263
ZINC000253499506
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