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(1S,2E,4S,6R,7E,11E,13R)-6-Acetoxy-2,7,11-cembratriene-4,13-diol

View entire compound with spectra: 1 MS (GC)

(1S,2E,4S,6R,7E,11E,13R)-6-Acetoxy-2,7,11-cembratriene-4,13-diol
SpectraBase Compound ID 3sng14Lp3qR
InChI InChI=1S/C22H36O4/c1-15(2)19-10-11-22(6,25)14-20(26-18(5)23)12-16(3)8-7-9-17(4)21(24)13-19/h9-12,15,19-21,24-25H,7-8,13-14H2,1-6H3/b11-10+,16-12+,17-9+/t19-,20-,21+,22+/m0/s1
InChIKey CLLDSYFHQCFUQA-PLGYIVMYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaXAsAITGft
Name (1S,2E,4S,6R,7E,11E,13R)-6-Acetoxy-2,7,11-cembratriene-4,13-diol
Alternate Name(s) (1R,8R,10S,13S)-8,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-2,6,11-cyclotetradecatrien-1-yl acetate Acetic acid[(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-cyclotetradeca-2,6,11-trien-1-yl]ester Acetic acid[(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-3,7,13-trimethyl-10-propan-2-yl-1-cyclotetradeca-2,6,11-trienyl]ester [(1R,2E,6E,8R,10S,11E,13S)-3,7,13-trimethyl-8,13-bis(oxidanyl)-10-propan-2-yl-cyclotetradeca-2,6,11-trien-1-yl]ethanoate [(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-cyclotetradeca-2,6,11-trien-1-yl]acetate [(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-yl]acetate Acetic acid [(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-3,7,13-trimethyl-10-propan-2-yl-1-cyclotetradeca-2,6,11-trienyl] ester [(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-yl] acetate [(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-10-isopropyl-3,7,13-trimethyl-cyclotetradeca-2,6,11-trien-1-yl] acetate [(1R,2E,6E,8R,10S,11E,13S)-3,7,13-trimethyl-8,13-bis(oxidanyl)-10-propan-2-yl-cyclotetradeca-2,6,11-trien-1-yl] ethanoate
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Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-15(2)19-10-11-22(6,25)14-20(26-18(5)23)12-16(3)8-7-9-17(4)21(24)13-19/h9-12,15,19-21,24-25H,7-8,13-14H2,1-6H3/b11-10+,16-12+,17-9+/t19-,20-,21+,22+/m0/s1
InChIKey CLLDSYFHQCFUQA-PLGYIVMYSA-N
Molecular Weight 364.526 g/mol
SMILES O[C@]1(C[C@](\C=C\(CC\C=C\([C@@](C[C@](\C=C\1)(C(C)C)[H])(O)[H])C)C)(OC(=O)C)[H])C
SPLASH splash10-0006-9100000000-976ea844fe5c475a8e55
Source of Spectrum SB-47-86-15
Wiley ID 1351028