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

*Links on SpectraBase are not permalinks.
2'-(3.alpha.-Benzyloxy-24-norcholan-23-yl)-4',4'-dimethyl-4',5'-dihydrooxazole
SpectraBase Compound ID IK5bDWxxe98
InChI InChI=1S/C35H53NO2/c1-24(11-16-32-36-33(2,3)23-38-32)29-14-15-30-28-13-12-26-21-27(37-22-25-9-7-6-8-10-25)17-19-34(26,4)31(28)18-20-35(29,30)5/h6-10,24,26-31H,11-23H2,1-5H3/t24-,26?,27-,28+,29?,30+,31+,34+,35-/m1/s1
InChIKey KOIKHOJPKKXACR-OBTIOEFESA-N
Mol Weight 519.8 g/mol
Molecular Formula C35H53NO2
Exact Mass 519.40763 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 96YNHWdRrc0
Name 2'-(3.alpha.-Benzyloxy-24-norcholan-23-yl)-4',4'-dimethyl-4',5'-dihydrooxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H53NO2
InChI InChI=1S/C35H53NO2/c1-24(11-16-32-36-33(2,3)23-38-32)29-14-15-30-28-13-12-26-21-27(37-22-25-9-7-6-8-10-25)17-19-34(26,4)31(28)18-20-35(29,30)5/h6-10,24,26-31H,11-23H2,1-5H3/t24-,26?,27-,28+,29?,30+,31+,34+,35-/m1/s1
InChIKey KOIKHOJPKKXACR-OBTIOEFESA-N
Molecular Weight 519.814 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@@](OCc2ccccc2)(C4)[H])C)[H])(CCC1[C@@](CCC1=NC(C)(C)CO1)(C)[H])[H])C
SPLASH splash10-03fr-2900000000-c768544205f294641ad1
Source of Spectrum F-48-142-3
Synonyms 2-[(3R)-3-[(1S,2S,5R,10R,11S,15R)-5-(benzyloxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]butyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Wiley ID 1401855