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5-Methyl-24,24-diphenylchol-23-en-3-yl acetate

View entire compound with spectra: 1 MS (GC)

5-Methyl-24,24-diphenylchol-23-en-3-yl acetate
SpectraBase Compound ID 4NgfSDUBB4Z
InChI InChI=1S/C39H52O2/c1-27(16-17-32(29-12-8-6-9-13-29)30-14-10-7-11-15-30)34-18-19-35-33-21-23-37(3)26-31(41-28(2)40)20-25-39(37,5)36(33)22-24-38(34,35)4/h6-15,17,27,31,33-36H,16,18-26H2,1-5H3/t27?,31?,33?,34?,35?,36?,37?,38-,39-/m1/s1
InChIKey OZSWXMWGXMVFTG-ONJVGDLLSA-N
Mol Weight 552.8 g/mol
Molecular Formula C39H52O2
Exact Mass 552.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7q3UOgOnrKn
Name 5-Methyl-24,24-diphenylchol-23-en-3-yl acetate
Alternate Name(s) (3beta)-5-methyl-24,24-diphenylchol-23-en-3-yl acetate Acetic acid 5,10,13-trimethyl-17-(1-methyl-4,4-diphenyl-but-3-enyl)-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
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Formula C39H52O2
InChI InChI=1S/C39H52O2/c1-27(16-17-32(29-12-8-6-9-13-29)30-14-10-7-11-15-30)34-18-19-35-33-21-23-37(3)26-31(41-28(2)40)20-25-39(37,5)36(33)22-24-38(34,35)4/h6-15,17,27,31,33-36H,16,18-26H2,1-5H3/t27?,31?,33?,34?,35?,36?,37?,38-,39-/m1/s1
InChIKey OZSWXMWGXMVFTG-ONJVGDLLSA-N
Molecular Weight 552.843 g/mol
SMILES [C@@]12(C(C3CCC4([C@@](C3CC2)(CCC(OC(=O)C)C4)C)C)CCC1C(CC=C(c1ccccc1)c1ccccc1)C)C
SPLASH splash10-001l-3921000000-acfb2feaf5b58edff952
Wiley ID 1454645