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

*Links on SpectraBase are not permalinks.

1,4-Epoxy-7H-benzo[3,4]cyclohepta[1,2-b]naphthalen-7-one, 1,4,4a,5,6,13b-hexahydro-5,5-dimethyl-, (1.alpha.,4.alpha.,4a.alpha.,13b.beta.)-

View entire compound with spectra: 1 MS (GC)

1,4-Epoxy-7H-benzo[3,4]cyclohepta[1,2-b]naphthalen-7-one, 1,4,4a,5,6,13b-hexahydro-5,5-dimethyl-, (1.alpha.,4.alpha.,4a.alpha.,13b.beta.)-
SpectraBase Compound ID 1Wjk9wdQXYX
InChI InChI=1S/C21H20O2/c1-21(2)11-16(22)14-9-12-5-3-4-6-13(12)10-15(14)19-17-7-8-18(23-17)20(19)21/h3-10,17-20H,11H2,1-2H3/t17-,18+,19-,20-/m0/s1
InChIKey ACKRHVHPTNEYFV-YRPNKDGESA-N
Mol Weight 304.39 g/mol
Molecular Formula C21H20O2
Exact Mass 304.14633 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 BuexPpMS26b
Name 1,4-Epoxy-7H-benzo[3,4]cyclohepta[1,2-b]naphthalen-7-one, 1,4,4a,5,6,13b-hexahydro-5,5-dimethyl-, (1.alpha.,4.alpha.,4a.alpha.,13b.beta.)-
CAS Registry Number 64233-84-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O2
InChI InChI=1S/C21H20O2/c1-21(2)11-16(22)14-9-12-5-3-4-6-13(12)10-15(14)19-17-7-8-18(23-17)20(19)21/h3-10,17-20H,11H2,1-2H3/t17-,18+,19-,20-/m0/s1
InChIKey ACKRHVHPTNEYFV-YRPNKDGESA-N
Molecular Weight 304.389 g/mol
SMILES c12[C@]3([C@]4(O[C@@]([C@@]3(C(C)(C)CC(c2cc2c(c1)cccc2)=O)[H])(C=C4)[H])[H])[H]
SPLASH splash10-007c-0790000000-ae6d241a0c93f3f7d329
Source of Spectrum C-99-5081-0
Synonyms (1S,2S,16S,17R)-15,15-dimethyl-20-oxapentacyclo[15.2.1.0(2,16).0(3,12).0(5,10)]icosa-3(12),4,6,8,10,18-hexaen-13-one 6,6-Dimethyl-8,11-oxonaptho[2',3'-2,3]bicyclo[5.4.0]undeca-2,9-dien-4-one
Wiley ID 1306990