For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
24-Methylenecholestane-1.alpha.,3.beta.,11.alpha.-triol
SpectraBase Compound ID 6tGQVwnwbVa
InChI InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)22-11-12-23-21-10-9-19-13-20(29)14-25(31)28(19,6)26(21)24(30)15-27(22,23)5/h16,18-26,29-31H,3,7-15H2,1-2,4-6H3/t18-,19?,20-,21+,22-,23+,24-,25+,26-,27-,28-/m1/s1
InChIKey PPCNQVKTHHQNLT-KMBIJYTPSA-N
Mol Weight 432.7 g/mol
Molecular Formula C28H48O3
Exact Mass 432.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7gSMNpwXgRr
Name 24-Methylenecholestane-1.alpha.,3.beta.,11.alpha.-triol
CAS Registry Number 95513-66-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O3
InChI InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)22-11-12-23-21-10-9-19-13-20(29)14-25(31)28(19,6)26(21)24(30)15-27(22,23)5/h16,18-26,29-31H,3,7-15H2,1-2,4-6H3/t18-,19?,20-,21+,22-,23+,24-,25+,26-,27-,28-/m1/s1
InChIKey PPCNQVKTHHQNLT-KMBIJYTPSA-N
Molecular Weight 432.689 g/mol
SMILES O[C@]1([C@@]2([C@]3([C@](C[C@@](CC3CC[C@]2([C@]2([C@](C1)([C@](CC2)([C@@](CCC(=C)C(C)C)(C)[H])[H])C)[H])[H])(O)[H])(O)[H])C)[H])[H]
SPLASH splash10-052b-9802100000-825ae751ebc1d6e961c4
Source of Spectrum J-50-1439-8
Synonyms (1alpha,3beta,11alpha)-ergost-24(28)-ene-1,3,11-triol
Wiley ID 1382512