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Ergost-5-ene-3,25,28-triol, 22,28-epoxy-, (3.beta.,22R,24.xi.)-
SpectraBase Compound ID FsMkBugTuuW
InChI InChI=1S/C28H46O4/c1-16(24-15-23(25(30)32-24)26(2,3)31)20-8-9-21-19-7-6-17-14-18(29)10-12-27(17,4)22(19)11-13-28(20,21)5/h6,16,18-25,29-31H,7-15H2,1-5H3/t16-,18?,19-,20+,21-,22-,23+,24+,25?,27-,28+/m0/s1
InChIKey KVYAZGGZMOIATP-HXRFZTCNSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BAQmUhYG7F
Name Ergost-5-ene-3,25,28-triol, 22,28-epoxy-, (3.beta.,22R,24.xi.)-
Alternate Name(s) (2R,3S,5R)-3-(1-hydroxy-1-methylethyl)-5-[(20S)-3-hydroxypregn-5-en-20-yl]tetrahydro-2-furanol Lobophytosterol Lobophytosterol diacetate
CAS Registry Number 80322-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-16(24-15-23(25(30)32-24)26(2,3)31)20-8-9-21-19-7-6-17-14-18(29)10-12-27(17,4)22(19)11-13-28(20,21)5/h6,16,18-25,29-31H,7-15H2,1-5H3/t16-,18?,19-,20+,21-,22-,23+,24+,25?,27-,28+/m0/s1
InChIKey KVYAZGGZMOIATP-HXRFZTCNSA-N
Molecular Weight 446.672 g/mol
SMILES OC1CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@@]([C@@]([C@]5(C[C@@](C(O)(C)C)(C(O5)O)[H])[H])(C)[H])(CC4)[H])(CC[C@]23[H])C)[H])[H])C1)C
SPLASH splash10-00e9-5972100000-9d6e859c34f9fb075359
Source of Spectrum F-37-2402-0
Wiley ID 1386778