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6-[(2E)-4-(2,5-Dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]-6-hydroxy-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyloctahydro-4H-inden-4-one
SpectraBase Compound ID 7jUVbTMMZGO
InChI InChI=1S/C29H44O5/c1-19(10-11-21-15-22(33-7)14-20(2)24(21)34-8)16-29(32)18-27(5)12-9-13-28(27,6)25(30)23(29)17-26(3,4)31/h10,14-15,23,31-32H,9,11-13,16-18H2,1-8H3/b19-10+
InChIKey PWASEOYBBJYFKS-VXLYETTFSA-N
Mol Weight 472.7 g/mol
Molecular Formula C29H44O5
Exact Mass 472.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FadZbQp1eNB
Name 6-[(2E)-4-(2,5-Dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]-6-hydroxy-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyloctahydro-4H-inden-4-one
Alternate Name(s) 6-[(E)-4-(2,5-dimethoxy-3-methyl-phenyl)-2-methyl-but-2-enyl]-3a,7a-dimethyl-5-(2-methyl-2-oxidanyl-propyl)-6-oxidanyl-2,3,5,7-tetrahydro-1H-inden-4-one 6-[(E)-4-(2,5-dimethoxy-3-methyl-phenyl)-2-methyl-but-2-enyl]-6-hydroxy-5-(2-hydroxy-2-methyl-propyl)-3a,7a-dimethyl-2,3,5,7-tetrahydro-1H-inden-4-one 6-[1-(2,5-Dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]octahydro-6-hydroxy-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-4H-inden-4-one
CAS Registry Number 93236-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O5
InChI InChI=1S/C29H44O5/c1-19(10-11-21-15-22(33-7)14-20(2)24(21)34-8)16-29(32)18-27(5)12-9-13-28(27,6)25(30)23(29)17-26(3,4)31/h10,14-15,23,31-32H,9,11-13,16-18H2,1-8H3/b19-10+
InChIKey PWASEOYBBJYFKS-VXLYETTFSA-N
Molecular Weight 472.666 g/mol
SMILES OC1(CC2(CCCC2(C(C1CC(C)(C)O)=O)C)C)C\C(=C\Cc1cc(OC)cc(c1OC)C)C
SPLASH splash10-00kr-9750300000-48b6f954298be6aeff17
Source of Spectrum W5-1989-37712-27824
Wiley ID 1393457