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24-Methylene-5.beta.-cholestane-3.alpha.,4.alpha.,11.beta.,21-tetrol
SpectraBase Compound ID AmzvZYAH1tX
InChI InChI=1S/C28H48O4/c1-16(2)17(3)6-7-18(15-29)20-10-11-21-19-8-9-22-26(32)23(30)12-13-27(22,4)25(19)24(31)14-28(20,21)5/h16,18-26,29-32H,3,6-15H2,1-2,4-5H3/t18-,19-,20+,21-,22+,23+,24-,25+,26-,27-,28+/m0/s1
InChIKey OWQHCRABNNQOPE-NYRLEOLUSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H48O4
Exact Mass 448.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqybYH2x8rp
Name 24-Methylene-5.beta.-cholestane-3.alpha.,4.alpha.,11.beta.,21-tetrol
Alternate Name(s) (3alpha,4alpha,5beta,11beta)-ergost-24(28)-ene-3,4,11,21-tetrol
CAS Registry Number 109152-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O4
InChI InChI=1S/C28H48O4/c1-16(2)17(3)6-7-18(15-29)20-10-11-21-19-8-9-22-26(32)23(30)12-13-27(22,4)25(19)24(31)14-28(20,21)5/h16,18-26,29-32H,3,6-15H2,1-2,4-5H3/t18-,19-,20+,21-,22+,23+,24-,25+,26-,27-,28+/m0/s1
InChIKey OWQHCRABNNQOPE-NYRLEOLUSA-N
Molecular Weight 448.688 g/mol
SMILES O[C@@]1([C@@]2([C@]3(CC[C@]([C@]([C@]3(CC[C@]2([C@]2([C@](C1)([C@](CC2)([C@@](CCC(=C)C(C)C)(CO)[H])[H])C)[H])[H])[H])(O)[H])(O)[H])C)[H])[H]
SPLASH splash10-000i-0019100000-6c6e4b39c22bef2f9aa4
Source of Spectrum J-52-3951-2
Wiley ID 1387329