Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi)-24,24-diphenylchola-4,23-dien-3-one
Catalog ID
STL525502
SMILES O=C1CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2C(C/C=C(/c1ccccc1)\c1ccccc1)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 C36H44O MW 492.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44O/c1-25(14-16-30(26-10-6-4-7-11-26)27-12-8-5-9-13-27)32-18-19-33-31-17-15-28-24-29(37)20-22-35(28,2)34(31)21-23-36(32,33)3/h4-13,16,24-25,31-34H,14-15,17-23H2,1-3H3/t25?,31?,32?,33?,34?,35-,36+/m0/s1InChIKey
HRDICSRHUYHWAD-QHZWKURZSA-NSynonyms
(10~(R)13~(R))17(55diphenylpent4en2yl)1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3one
(10R13R)17(55diphenylpent4en2yl)1013dimethyl67891011121314151617dodecahydro1Hcyclopenta(a)phenanthren3(2H)one
(8xi9xi14xi17xi20xi)2424diphenylchola423dien3one
16395669
InChI=1SC36H44Oc125(141630(26106471126)27128591327)32181933311715282429(37)202235(282)34(31)212336(3233)3h4131624253134H14151723H213H3t25?31?32?33?34?3536+m0s1
MFCD01545934
O=C1CC(C@)2(C(=C1)CCC1C2CC(C@)2(C1CCC2C(CC=C(c1ccccc1)c1ccccc1)C)C)C
ZINC000012655768
ZINC000253499470
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