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

*Links on SpectraBase are not permalinks.

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Btp6Nm3OgMT
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.360345403 u
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 [C@@]12(C(=C(C)C=C[C@]2(C(C)(C)[C@](CC1)(O)[H])[H])CC[C@]1([C@]2([C@](OC(C)(C)C(CC2)=O)([H])CC[C@]1(C)[H])C)[H])C