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(2R,2aR,4aS,5R,7aS,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one

View entire compound with spectra: 1 MS (GC)

(2R,2aR,4aS,5R,7aS,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one
SpectraBase Compound ID FvwTtRCTpDF
InChI InChI=1S/C21H32O4/c1-13(2)7-5-8-14(3)9-6-10-16-15-11-12-17-18(15)21(24-19(16)22)25-20(17)23-4/h7,9,15-18,20-21H,5-6,8,10-12H2,1-4H3/b14-9+/t15-,16-,17-,18+,20-,21-/m1/s1
InChIKey UWYIFKAVHKSGCW-KALLKKIBSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB9rm5uTAcu
Name (2R,2aR,4aS,5R,7aS,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-13(2)7-5-8-14(3)9-6-10-16-15-11-12-17-18(15)21(24-19(16)22)25-20(17)23-4/h7,9,15-18,20-21H,5-6,8,10-12H2,1-4H3/b14-9+/t15-,16-,17-,18+,20-,21-/m1/s1
InChIKey UWYIFKAVHKSGCW-KALLKKIBSA-N
Molecular Weight 348.483 g/mol
SMILES [C@]12(OC(=O)[C@@]([C@@]3([C@]2([C@](CC3)([H])[C@@](O1)(OC)[H])[H])[H])(CC\C=C\(CCC=C(C)C)C)[H])[H]
SPLASH splash10-01b9-6964000000-2df070c3f90011183019
Source of Spectrum F-49-10572-27
Synonyms (2R,2aR,4aS,5R,7aS,7bS)-5-[(3E)-4,8-dimethyl-3,7-nonadienyl]-2-methoxyoctahydro-6H-1,7-dioxacyclopenta[cd]inden-6-one (2S,2aR,4aS,5R,7aS,7bS)-5-[(3E)-4,8-Dimethyl-3,7-nonadienyl]-2-methoxy-2a,3,4,4a,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopenta[c,d]indene-6-one
Wiley ID 788957