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(2S,2aR,4aR,5S,7aR,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-ol

View entire compound with spectra: 1 MS (GC)

(2S,2aR,4aR,5S,7aR,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-ol
SpectraBase Compound ID 97J2X6hMqpa
InChI InChI=1S/C21H34O4/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/h7,9,15-22H,5-6,8,10-12H2,1-4H3/b14-9+/t15-,16+,17-,18+,19?,20?,21-/m1/s1
InChIKey ANRQHLSAQYTEMD-ZDFGZEFYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZAtUFPY2qL
Name (2S,2aR,4aR,5S,7aR,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-ol
Alternate Name(s) (2aR,4aR,5S,7aR,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-ol (2S,2aR,4aR,5S,7aR,7bS)-5-[(3E)-4,8-dimethyl-3,7-nonadienyl]-2-methoxyoctahydro-2H-1,7-dioxacyclopenta[cd]inden-6-ol
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Formula C21H34O4
InChI InChI=1S/C21H34O4/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/h7,9,15-22H,5-6,8,10-12H2,1-4H3/b14-9+/t15-,16+,17-,18+,19?,20?,21-/m1/s1
InChIKey ANRQHLSAQYTEMD-ZDFGZEFYSA-N
Molecular Weight 350.499 g/mol
SMILES OC1O[C@@]2(OC(OC)[C@]3([C@@]2([C@@]([C@@]1(CC\C=C\(CCC=C(C)C)C)[H])(CC3)[H])[H])[H])[H]
SPLASH splash10-014i-9211000000-64e9aa970df03e3f8fe9
Source of Spectrum F-49-10573-31
Wiley ID 788953