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27-Norcholesta-5,23-dien-25-one, 1,3-dihydroxy-, (1.alpha.,3.beta.,23E)-
SpectraBase Compound ID AYDYRQOKq2L
InChI InChI=1S/C26H40O3/c1-16(6-5-7-17(2)27)21-10-11-22-20-9-8-18-14-19(28)15-24(29)26(18,4)23(20)12-13-25(21,22)3/h5,7-8,16,19-24,28-29H,6,9-15H2,1-4H3/b7-5+/t16-,19-,20+,21-,22+,23+,24+,25-,26+/m1/s1
InChIKey FEERVQIKRVCZGQ-UDHPZJEPSA-N
Mol Weight 400.6 g/mol
Molecular Formula C26H40O3
Exact Mass 400.297745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RjyE2xxVah
Name 27-Norcholesta-5,23-dien-25-one, 1,3-dihydroxy-, (1.alpha.,3.beta.,23E)-
Alternate Name(s) (23E)-1.alpha.,3.beta.-dihydroxy-27-nor-5,23-cholestadien-25-one (3E,6R)-6-[(1S,2R,3S,5R,10S,11S,14R,15R)-3,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]hept-3-en-2-one
CAS Registry Number 83872-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O3
InChI InChI=1S/C26H40O3/c1-16(6-5-7-17(2)27)21-10-11-22-20-9-8-18-14-19(28)15-24(29)26(18,4)23(20)12-13-25(21,22)3/h5,7-8,16,19-24,28-29H,6,9-15H2,1-4H3/b7-5+/t16-,19-,20+,21-,22+,23+,24+,25-,26+/m1/s1
InChIKey FEERVQIKRVCZGQ-UDHPZJEPSA-N
Molecular Weight 400.603 g/mol
SMILES O[C@]1(C[C@@](CC=2[C@]1([C@]1(CC[C@@]3([C@](CC[C@]3([C@@]1(CC2)[H])[H])([C@@](C\C=C\C(=O)C)(C)[H])[H])C)[H])C)(O)[H])[H]
SPLASH splash10-0a5c-9405000000-b956b77d463839d80914
Source of Spectrum H-65-1513-0
Wiley ID 1369637