For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Cyclohepta[d]cyclopent[b]oxepin-5(1H)-one, dodecahydro-8-hydroxy-3a,6a,10-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,6a.alpha.,8.beta.,10.alpha.,11a.beta.,11b.alph a.)]-
SpectraBase Compound ID 7iuIgPAmoDc
InChI InChI=1S/C20H34O3/c1-12(2)15-6-7-20(5)18(15)16-9-13(3)8-14(21)10-19(16,4)11-17(22)23-20/h12-16,18,21H,6-11H2,1-5H3/t13-,14-,15+,16+,18+,19+,20-/m1/s1
InChIKey MVLHXGCLKQEBEP-KJSSNBPFSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7gofv0i5e3b
Name Cyclohepta[d]cyclopent[b]oxepin-5(1H)-one, dodecahydro-8-hydroxy-3a,6a,10-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,6a.alpha.,8.beta.,10.alpha.,11a.beta.,11b.alph a.)]-
CAS Registry Number 67068-04-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-12(2)15-6-7-20(5)18(15)16-9-13(3)8-14(21)10-19(16,4)11-17(22)23-20/h12-16,18,21H,6-11H2,1-5H3/t13-,14-,15+,16+,18+,19+,20-/m1/s1
InChIKey MVLHXGCLKQEBEP-KJSSNBPFSA-N
Molecular Weight 322.489 g/mol
SMILES O[C@]1(C[C@@]2([C@]([C@]3([C@](OC(C2)=O)(CC[C@]3(C(C)C)[H])C)[H])(C[C@@](C1)(C)[H])[H])C)[H]
SPLASH splash10-0006-9400000000-21477aeadfb408582f86
Source of Spectrum KC-1979-2716-0
Synonyms (1S,3aR,6aS,8R,10S,11aS,11bS)-8-hydroxy-1-isopropyl-3a,6a,10-trimethyldodecahydrocyclohepta[d]cyclopenta[b]oxepin-5(1H)-one 7-(2-Hydroxy-2-methyl-5-isopropylcyclopentyl)-1,5-dimethylcycloheptane-1,3-carbolactone
Wiley ID 1322019