John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Ap7FwMBRimD SpectraBase Spectrum ID=mp3Xiwd9sW

(accessed ).
5,6-Secocholest-2-en-1-one, 6,6-dimethoxy-, (10.alpha.)-
SpectraBase Compound ID Ap7FwMBRimD
InChI InChI=1S/C29H50O3/c1-20(2)11-10-12-21(3)23-14-15-24-22(19-27(31-6)32-7)25(16-18-28(23,24)4)29(5)17-9-8-13-26(29)30/h8,13,20-25,27H,9-12,14-19H2,1-7H3/t21-,22?,23-,24+,25?,28+,29+/m1/s1
InChIKey SAURSXLFVAPAPZ-IJHSEHESSA-N
Mol Weight 446.7 g/mol
Molecular Formula C29H50O3
Exact Mass 446.375996 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID mp3Xiwd9sW
Name 5,6-Secocholest-2-en-1-one, 6,6-dimethoxy-, (10.alpha.)-
Alternate Name(s) (6S)-6-{(1R,3aS,7aS)-4-(2,2-dimethoxyethyl)-1-[(1R)-1,5-dimethylhexyl]-7a-methyloctahydro-1H-inden-5-yl}-6-methyl-2-cyclohexen-1-one 6,6-Dimethoxy-5,6-seco-cholest-3-en-5-one
CAS Registry Number 117457-63-3
Classification Sesquiterpenoids
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O3
InChI InChI=1S/C29H50O3/c1-20(2)11-10-12-21(3)23-14-15-24-22(19-27(31-6)32-7)25(16-18-28(23,24)4)29(5)17-9-8-13-26(29)30/h8,13,20-25,27H,9-12,14-19H2,1-7H3/t21-,22?,23-,24+,25?,28+,29+/m1/s1
InChIKey SAURSXLFVAPAPZ-IJHSEHESSA-N
SPLASH splash10-004i-9000000000-9dd6fcc9168959213f5c
Source of Spectrum I-66-1216-24
SpectraBase Batch ID 1y9X6pAfYnA
Wiley ID 1386819