Vitas-M small molecule compound
(8xi,9xi,14xi,17xi,20xi)-24,24-diphenylchola-5,23-dien-3-yl acetate
Catalog ID
STL524412
SMILES CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(C/C=C(/c2ccccc2)\c2ccccc2)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 C38H48O2 MW 536.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48O2/c1-26(15-17-32(28-11-7-5-8-12-28)29-13-9-6-10-14-29)34-19-20-35-33-18-16-30-25-31(40-27(2)39)21-23-37(30,3)36(33)22-24-38(34,35)4/h5-14,16-17,26,31,33-36H,15,18-25H2,1-4H3/t26?,31?,33?,34?,35?,36?,37-,38+/m0/s1InChIKey
FIKZWGMDCFPVDM-FRMDITGBSA-NSynonyms
((10~(R)13~(R))17(55diphenylpent4en2yl)1013dimethyl234789111214151617dodecahydro1~(H)cyclopenta(a)phenanthren3yl)acetate
(10R13R)17(55diphenylpent4en2yl)1013dimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi14xi17xi20xi)2424diphenylchola523dien3ylacetate
16395224
CC(=O)OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3CCC2C(CC=C(c2ccccc2)c2ccccc2)C)C)C1)C
InChI=1SC38H48O2c126(151732(28117581228)291396101429)34192035331816302531(4027(2)39)212337(303)36(33)222438(3435)4h514161726313336H151825H214H3t26?31?33?34?35?36?3738+m0s1
MFCD01544159
ZINC000253499341
ZINC000253499344
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