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DISPIRO[CYCLOHEXAN-1,7'-[2]OXABICYCLO[3.2.0]HEPTAN-6',3''-[1]OXACYCLOPENT-[4]-EN-2'',3'-DIONE, (1'-alpha,5'-alpha,6'-beta)-4'-CYCLOHE
SpectraBase Compound ID HfWcH6EM1z0
InChI InChI=1S/C29H34O6.C9H10O2/c1-2-24(31)34-21-13-9-12-20(16-21)23(33-18-30)17-22-26-25(19-10-5-3-6-11-19)28(32)35-27(26)29(22)14-7-4-8-15-29;1-2-9(10)11-8-6-4-3-5-7-8/h9,12-13,16-18,22,26-27H,2-8,10-11,14-15H2,1H3;3-7H,2H2,1H3/b23-17-;
InChIKey ADTNFORTJSJVMV-AHKBEGBGSA-N
Mol Weight 628.8 g/mol
Molecular Formula C38H44O8
Exact Mass 628.303618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0jkwn56SQ6
Name DISPIRO[CYCLOHEXAN-1,7'-[2]OXABICYCLO[3.2.0]HEPTAN-6',3''-[1]OXACYCLOPENT-[4]-EN-2'',3'-DIONE, (1'-alpha,5'-alpha,6'-beta)-4'-CYCLOHE
Alternate Name(s) DISPIRO[CYCLOHEXAN-1,7'-[2]OXABICYCLO[3.2.0]HEPTAN-6',3''-[1]OXACYCLOPENT-[4]-EN-2'',3'-DIONE, (1'-alpha,5'-alpha,6'-beta)-4'-CYCLOHEXYLIDEN-1',5''-BIS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C38H40O8
InChI InChI=1S/C29H34O6.C9H10O2/c1-2-24(31)34-21-13-9-12-20(16-21)23(33-18-30)17-22-26-25(19-10-5-3-6-11-19)28(32)35-27(26)29(22)14-7-4-8-15-29;1-2-9(10)11-8-6-4-3-5-7-8/h9,12-13,16-18,22,26-27H,2-8,10-11,14-15H2,1H3;3-7H,2H2,1H3/b23-17-;
InChIKey ADTNFORTJSJVMV-AHKBEGBGSA-N
Instrument Name 311A
Molecular Weight 628.3024
SMILES c1cccc(OC(CC)=O)c1.C1(=O)OC2C(C1=C1CCCCC1)C(\C=C\(c1cc(OC(CC)=O)ccc1)OC=O)C21CCCCC1
SPLASH splash10-0a70-8971000000-fd5e558e1a3d1d849b59
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany