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

*Links on SpectraBase are not permalinks.

Ursa-9(11),12-dien-3-one

View entire compound with spectra: 1 MS (GC)

Ursa-9(11),12-dien-3-one
SpectraBase Compound ID 4neqmmCnj4P
InChI InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,25H,11-18H2,1-8H3
InChIKey AWUHBUKNSPYYTJ-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C30H46O
Exact Mass 422.354866 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 uF6x92AmgS
Name Ursa-9(11),12-dien-3-one
Alternate Name(s) 4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a-dodecahydropicen-3-one
CAS Registry Number 72093-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O
InChI InChI=1S/C30H46O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9-10,19-20,22,25H,11-18H2,1-8H3
InChIKey AWUHBUKNSPYYTJ-UHFFFAOYSA-N
Molecular Weight 422.697 g/mol
SMILES C12C(C(=O)CCC1(C=1C(CC2)(C2(CCC3(CCC(C(C3C2=CC1)C)C)C)C)C)C)(C)C
SPLASH splash10-00di-5940600000-1c678daa9b2c48540b77
Wiley ID 1477936