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11-(3',3'-Ethylenedioxybutyl)-4.alpha.-isopropyl-7.beta.-methyltetracyclo[8.4.0.0(2,7).0(4,6)]tetradeca-1,10-dien-12-one
SpectraBase Compound ID KWe9Zv8mMWL
InChI InChI=1S/C24H34O3/c1-15(2)24-13-19-18-11-17(6-8-23(4)26-9-10-27-23)20(25)12-16(18)5-7-22(19,3)21(24)14-24/h12,15,17,21H,5-11,13-14H2,1-4H3/t17?,21?,22-,24+/m0/s1
InChIKey YVYYFVADHADKAA-DREVHWIPSA-N
Mol Weight 370.5 g/mol
Molecular Formula C24H34O3
Exact Mass 370.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2awsa6tStRz
Name 11-(3',3'-Ethylenedioxybutyl)-4.alpha.-isopropyl-7.beta.-methyltetracyclo[8.4.0.0(2,7).0(4,6)]tetradeca-1,10-dien-12-one
Alternate Name(s) (6aR,7aS)-7a-isopropyl-6a-methyl-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,5,6,6a,6b,7,7a,8-octahydrocyclopropa[3,4]cyclopenta[1,2-a]naphthalen-3(2H)-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O3
InChI InChI=1S/C24H34O3/c1-15(2)24-13-19-18-11-17(6-8-23(4)26-9-10-27-23)20(25)12-16(18)5-7-22(19,3)21(24)14-24/h12,15,17,21H,5-11,13-14H2,1-4H3/t17?,21?,22-,24+/m0/s1
InChIKey YVYYFVADHADKAA-DREVHWIPSA-N
Molecular Weight 370.533 g/mol
SMILES [C@@]12(C([C@]3(CCC=4C(=C3C2)CC(C(=O)C4)CCC2(OCCO2)C)C)C1)C(C)C
SPLASH splash10-000i-9000000000-844f625861e82a80202f
Source of Spectrum H-66-1814-0
Wiley ID 1354648