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(5aS,6R,7R,9aS)-6-[2-[(4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-oxidanyl-4a,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(5aS,6R,7R,9aS)-6-[2-[(4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-oxidanyl-4a,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one
SpectraBase Compound ID D7v9rBDXsRR
InChI InChI=1S/C30H48O3/c1-19-9-13-23-27(3,4)24(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-26-30(22,8)18-16-25(32)28(5,6)33-26/h9,13,20,22-24,26,31H,10-12,14-18H2,1-8H3/t20-,22-,23+,24+,26+,29-,30+/m1/s1
InChIKey AEKKIVGJEKXBHB-UNJIBNEDSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChOFDt6zQ71
Name (5aS,6R,7R,9aS)-6-[2-[(4aR,6S,8aS)-2,5,5,8a-tetramethyl-6-oxidanyl-4a,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-19-9-13-23-27(3,4)24(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-26-30(22,8)18-16-25(32)28(5,6)33-26/h9,13,20,22-24,26,31H,10-12,14-18H2,1-8H3/t20-,22-,23+,24+,26+,29-,30+/m1/s1
InChIKey AEKKIVGJEKXBHB-UNJIBNEDSA-N
Molecular Weight 456.711 g/mol
SMILES O[C@]1(CC[C@@]2(C(=C(C)C=C[C@]2(C1(C)C)[H])CC[C@]1([C@]2([C@](OC(C)(C)C(CC2)=O)([H])CC[C@]1(C)[H])C)[H])C)[H]
SPLASH splash10-000i-0900800000-ef5f3519fade2a2f0d66
Source of Spectrum F-55-5566-9
Synonyms (5aS,6R,7R,9aS)-6-[2-[(4aR,6S,8aS)-6-hydroxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydronaphthalen-1-yl]ethyl]-2,2,5a,7-tetramethyl-5,6,7,8,9,9a-hexahydro-4H-benzo[b]oxepin-3-one
Wiley ID 837777