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

*Links on SpectraBase are not permalinks.

(+)-5-[(1'R)-1'-((1R,2R,4R,8R,11S)-7-Methylene-3,3,11-trimethyltricyclo[6.3.0.0(2,4)]undeca-11-yl)-3'-methylbutyl]-2,4,6-trimethoxybenzene-1,3-dimethanol

View entire compound with spectra: 1 MS (GC)

(+)-5-[(1'R)-1'-((1R,2R,4R,8R,11S)-7-Methylene-3,3,11-trimethyltricyclo[6.3.0.0(2,4)]undeca-11-yl)-3'-methylbutyl]-2,4,6-trimethoxybenzene-1,3-dimethanol
SpectraBase Compound ID 1hyEZAYTMOn
InChI InChI=1S/C31H48O5/c1-17(2)14-23(24-28(35-8)20(15-32)27(34-7)21(16-33)29(24)36-9)31(6)13-12-19-18(3)10-11-22-26(25(19)31)30(22,4)5/h17,19,22-23,25-26,32-33H,3,10-16H2,1-2,4-9H3/t19-,22+,23-,25+,26+,31+/m0/s1
InChIKey JCFGFIVKFYHDLK-GXKFOUPTSA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H48O5
Exact Mass 500.350175 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 8loLVohDZfx
Name (+)-5-[(1'R)-1'-((1R,2R,4R,8R,11S)-7-Methylene-3,3,11-trimethyltricyclo[6.3.0.0(2,4)]undeca-11-yl)-3'-methylbutyl]-2,4,6-trimethoxybenzene-1,3-dimethanol
Alternate Name(s) [3-{(1R)-1-[(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-yl]-3-methylbutyl}-5-(hydroxymethyl)-2,4,6-trimethoxyphenyl]methanol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H48O5
InChI InChI=1S/C31H48O5/c1-17(2)14-23(24-28(35-8)20(15-32)27(34-7)21(16-33)29(24)36-9)31(6)13-12-19-18(3)10-11-22-26(25(19)31)30(22,4)5/h17,19,22-23,25-26,32-33H,3,10-16H2,1-2,4-9H3/t19-,22+,23-,25+,26+,31+/m0/s1
InChIKey JCFGFIVKFYHDLK-GXKFOUPTSA-N
Molecular Weight 500.720 g/mol
SMILES OCc1c(c(c(c(CO)c1OC)OC)[C@@]([C@@]1([C@]2([C@@]3(C(C)(C)[C@@]3(CCC([C@@]2(CC1)[H])=C)[H])[H])[H])C)(CC(C)C)[H])OC
SPLASH splash10-004i-0090000000-8580c98e8da7b5c8669e
Source of Spectrum J-63-9792-33
Wiley ID 1398947