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

*Links on SpectraBase are not permalinks.

#6;ISOPETASOL;(4AR,5R,6R)-4,4A,5,6,7,8-HEXAHYDRO-6-HYDROXY-4A,5-DIMETHYL-3-(1-METHYLETHYLIDENE)-2(3H)-NAPHTHALENONE;3-ALPHA-HYDROXY-EREMOPHILA-7(11),9-DIEN-8-O

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#6;ISOPETASOL;(4AR,5R,6R)-4,4A,5,6,7,8-HEXAHYDRO-6-HYDROXY-4A,5-DIMETHYL-3-(1-METHYLETHYLIDENE)-2(3H)-NAPHTHALENONE;3-ALPHA-HYDROXY-EREMOPHILA-7(11),9-DIEN-8-O
SpectraBase Compound ID 4dzIHsJotQs
InChI InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13+,15+/m0/s1
InChIKey TVDMUSYVWJLIDK-PSOPSSQASA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 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 ERHl4Hq3S9h
Name (+)-Isopetasol
Alternate Name(s) (4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one (4aR,5R,6R)-4a,5-dimethyl-6-oxidanyl-3-propan-2-ylidene-5,6,7,8-tetrahydro-4H-naphthalen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,13,16H,5-6,8H2,1-4H3/t10-,13+,15+/m0/s1
InChIKey TVDMUSYVWJLIDK-PSOPSSQASA-N
Molecular Weight 234.339 g/mol
SMILES O[C@]1([C@@]([C@@]2(C(=CC(C(C2)=C(C)C)=O)CC1)C)(C)[H])[H]
SPLASH splash10-03e9-0690000000-78f34fe861513dc471f2
Source of Spectrum SO-0-111-18
Wiley ID 874232