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

*Links on SpectraBase are not permalinks.
4,10-(Epoxymethano)-10H-cyclopenta[a]phenanthrene, cholestan-19-oic acid deriv.
SpectraBase Compound ID LcAUctVExrz
InChI InChI=1S/C27H44O2/c1-17(2)7-5-8-18(3)20-12-13-21-19-10-11-23-24-9-6-15-27(23,25(28)29-24)22(19)14-16-26(20,21)4/h17-24H,5-16H2,1-4H3/t18-,19+,20-,21+,22+,23+,24?,26-,27+/m1/s1
InChIKey ZLKMRZBBPXHDGS-SJFOGZRUSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 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 EsiJ8IFTtkU
Name 4,10-(Epoxymethano)-10H-cyclopenta[a]phenanthrene, cholestan-19-oic acid deriv.
Alternate Name(s) Cholestan-19-oic acid, 4-hydroxy-, .gamma.-lactone, (4.beta.,5.alpha.)- (1S,2S,5R,6R,9S,10S,13R)-6-[(1R)-1,5-dimethylhexyl]-5-methyl-19-oxapentacyclo[12.3.2.0(1,13).0(2,10).0(5,9)]nonadecan-18-one 5.alpha.-cholestan-19,4-lactone
CAS Registry Number 121691-66-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-17(2)7-5-8-18(3)20-12-13-21-19-10-11-23-24-9-6-15-27(23,25(28)29-24)22(19)14-16-26(20,21)4/h17-24H,5-16H2,1-4H3/t18-,19+,20-,21+,22+,23+,24?,26-,27+/m1/s1
InChIKey ZLKMRZBBPXHDGS-SJFOGZRUSA-N
Molecular Weight 400.647 g/mol
SMILES [C@@]123C(OC([C@@]3(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])CCC2)=O
SPLASH splash10-0f6t-0893000000-32e18ed538d22742b48a
Source of Spectrum KC-1989-408-11
Wiley ID 1369733