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5,9-Epoxycyclopentacycloundecen-11(1H)-one, 2,4,5,8,9,10,12,12a-octahydro-10-hydroxy-6,10,12a-trimethyl-1-(1-methylethyl)-, [1S-(1R*,4S*,9R*,10R*,12aR*)]-
SpectraBase Compound ID CQYLYU9gRPS
InChI InChI=1S/C20H30O3/c1-12(2)15-8-7-14-10-16-13(3)6-9-18(23-16)20(5,22)17(21)11-19(14,15)4/h6-7,12,15-16,18,22H,8-11H2,1-5H3/t15-,16?,18-,19+,20+/m0/s1
InChIKey LYULCTGPWDMVAO-AEOXZHQRSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4BbkKM5Kvg
Name 5,9-Epoxycyclopentacycloundecen-11(1H)-one, 2,4,5,8,9,10,12,12a-octahydro-10-hydroxy-6,10,12a-trimethyl-1-(1-methylethyl)-, [1S-(1R*,4S*,9R*,10R*,12aR*)]-
CAS Registry Number 103197-41-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12(2)15-8-7-14-10-16-13(3)6-9-18(23-16)20(5,22)17(21)11-19(14,15)4/h6-7,12,15-16,18,22H,8-11H2,1-5H3/t15-,16?,18-,19+,20+/m0/s1
InChIKey LYULCTGPWDMVAO-AEOXZHQRSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@@]1(C(C[C@@]2(C(=CC[C@]2(C(C)C)[H])CC2O[C@]1(CC=C2C)[H])C)=O)C
SPLASH splash10-066r-0093000000-b80d7f285f446c56d555
Source of Spectrum B-39-811-5
Synonyms (6S,7S,10S,11S)-10-hydroxy-6-isopropyl-7,10,14-trimethyl-15-oxatricyclo[9.3.1.0(3,7)]pentadeca-3,13-dien-9-one 4,5-Deoxyneodolabellin 4,5-Deoxyneolabelline 4,8,11-Trimethyl-3,7-epoxy-8-hydroxy-12-isopropyl-bicyclo[9.3.0]tetraceda-4,14(1)-dien-9-one
Wiley ID 1318800