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

*Links on SpectraBase are not permalinks.

(2E,8E)-10-(Acetyloxy)-4A-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1A,4,4A,5,6,7,7A,10,11,11A-decahydro-1H-cyclopenta[A]cyclopropa[F][11]annulen-7-yl benzoate

View entire compound with spectra: 1 NMR

(2E,8E)-10-(Acetyloxy)-4A-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1A,4,4A,5,6,7,7A,10,11,11A-decahydro-1H-cyclopenta[A]cyclopropa[F][11]annulen-7-yl benzoate
SpectraBase Compound ID D0QfbqUo1l7
InChI InChI=1S/C29H36O6/c1-16-12-23-25(35-27(32)20-10-8-7-9-11-20)18(3)15-29(23,33)26(31)17(2)13-21-22(28(21,5)6)14-24(16)34-19(4)30/h7-13,18,21-25,33H,14-15H2,1-6H3/b16-12+,17-13+
InChIKey WTURHHSEHGCTBS-UNZYHPAISA-N
Mol Weight 480.6 g/mol
Molecular Formula C29H36O6
Exact Mass 480.251189 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 C54MPCAbk9C
Name (2E,8E)-10-(Acetyloxy)-4A-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1A,4,4A,5,6,7,7A,10,11,11A-decahydro-1H-cyclopenta[A]cyclopropa[F][11]annulen-7-yl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.251188873 u
Formula C29H36O6
InChI InChI=1S/C29H36O6/c1-16-12-23-25(35-27(32)20-10-8-7-9-11-20)18(3)15-29(23,33)26(31)17(2)13-21-22(28(21,5)6)14-24(16)34-19(4)30/h7-13,18,21-25,33H,14-15H2,1-6H3/b16-12+,17-13+
InChIKey WTURHHSEHGCTBS-UNZYHPAISA-N
Molecular Weight 480.601 g/mol
SMILES C12C(CC(C2OC(C2=CC=CC=C2)=O)C)(C(\C(=C\C2C(CC(\C(=C\1)C)OC(C)=O)C2(C)C)C)=O)O