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(2e,6e,10e)-1-(2-oxa-3-oxo-4,7,7-trimethyl-bicyclo(2,2,1)heptanecarbonyloxy)-14-isopropenyl-3,7,11-trimethylcyclotetradecatriene

View entire compound with spectra: 1 MS (GC)

(2e,6e,10e)-1-(2-oxa-3-oxo-4,7,7-trimethyl-bicyclo(2,2,1)heptanecarbonyloxy)-14-isopropenyl-3,7,11-trimethylcyclotetradecatriene
SpectraBase Compound ID LQBcj1ZuxQK
InChI InChI=1S/C30H44O4/c1-20(2)24-16-15-22(4)13-9-11-21(3)12-10-14-23(5)19-25(24)33-27(32)30-18-17-29(8,26(31)34-30)28(30,6)7/h12-13,19,24-25H,1,9-11,14-18H2,2-8H3/b21-12-,22-13-,23-19-/t24?,25?,29-,30+/m0/s1
InChIKey XPONBLPQQPCUGY-XQVFUFPBSA-N
Mol Weight 468.7 g/mol
Molecular Formula C30H44O4
Exact Mass 468.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbGGceAkhL5
Name (2e,6e,10e)-1-(2-oxa-3-oxo-4,7,7-trimethyl-bicyclo(2,2,1)heptanecarbonyloxy)-14-isopropenyl-3,7,11-trimethylcyclotetradecatriene
Alternate Name(s) trans-2-canphanyloxy-neocembrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44O4
InChI InChI=1S/C30H44O4/c1-20(2)24-16-15-22(4)13-9-11-21(3)12-10-14-23(5)19-25(24)33-27(32)30-18-17-29(8,26(31)34-30)28(30,6)7/h12-13,19,24-25H,1,9-11,14-18H2,2-8H3/b21-12-,22-13-,23-19-/t24?,25?,29-,30+/m0/s1
InChIKey XPONBLPQQPCUGY-XQVFUFPBSA-N
Ionization Type EI-B
Molecular Weight 468.678 g/mol
SMILES [C@]12(CC[C@@](C2(C)C)(C)C(=O)O1)C(OC1C(C(C)=C)CC\C(=C/CC\C(=C/CC\C(=C/1)C)C)C)=O
SPLASH splash10-0a4i-3910000000-9afadbd6d6cb51a7472b
Source of Spectrum SRH-2022-4606-0
Wiley ID 1826742