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

*Links on SpectraBase are not permalinks.

17-(5,6-dimethylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

View entire compound with spectra: 2 MS (GC)

17-(5,6-dimethylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID LiYqtIq9g2z
InChI InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30-7)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-23,25,27H,8-18H2,1-7H3
InChIKey HREPJGKIZVKMLL-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 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 69d9czJfvvx
Name 17-(5,6-dimethylheptan-2-yl)-3-methoxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS Registry Number 73480-15-6
Comments Note: The molecular formula of the structure shown is C29H50O - which differs from the formula reported for the mass spectrum (C24H34O4)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C29H50O/c1-19(2)20(3)8-9-21(4)25-12-13-26-24-11-10-22-18-23(30-7)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-23,25,27H,8-18H2,1-7H3
InChIKey HREPJGKIZVKMLL-UHFFFAOYSA-N
Molecular Weight 414.718 g/mol
SMILES C1CC(CC2C1(C1C(CC2)=C2C(CC1)(C(CC2)C(C)CCC(C(C)C)C)C)C)OC
SPLASH splash10-0005-3961000000-c22d5eac8ef5c1989321
Synonyms 3-Methoxyergost-8(14)-ene 3-Methoxy-10,13-dimethyl-17-(1,4,5-trimethylhexyl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 1477713