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

*Links on SpectraBase are not permalinks.
2H-1-Benzopyran-2,5(8H)-dione, 7-hydroxy-8,8-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-pentyl-, (.+-.)-
SpectraBase Compound ID IXqoGhsWhIL
InChI InChI=1S/C29H40O5/c1-8-10-11-12-21-17-22(30)34-28-23(21)26(32)24(25(31)20(7)9-2)27(33)29(28,15-13-18(3)4)16-14-19(5)6/h13-14,17,20,33H,8-12,15-16H2,1-7H3
InChIKey SZMIFGNTAOXLCK-UHFFFAOYSA-N
Mol Weight 468.6 g/mol
Molecular Formula C29H40O5
Exact Mass 468.287574 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 Hauw4oKrC6L
Name 2H-1-Benzopyran-2,5(8H)-dione, 7-hydroxy-8,8-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-pentyl-, (.+-.)-
Alternate Name(s) 2H-1-benzopyran-2,5(8H)-dione,7-hydroxy-8,8-bis(3-methyl-2-butenyl)-6-(2-methyl-1-oxobutyl)-4-pentyl- 7-Hydroxy-6-(2-methylbutanoyl)-8,8-bis(3-methyl-2-butenyl)-4-pentyl-2H-chromene-2,5(8H)-dione
CAS Registry Number 111761-41-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O5
InChI InChI=1S/C29H40O5/c1-8-10-11-12-21-17-22(30)34-28-23(21)26(32)24(25(31)20(7)9-2)27(33)29(28,15-13-18(3)4)16-14-19(5)6/h13-14,17,20,33H,8-12,15-16H2,1-7H3
InChIKey SZMIFGNTAOXLCK-UHFFFAOYSA-N
Molecular Weight 468.634 g/mol
SMILES OC=1C(CC=C(C)C)(CC=C(C)C)C2=C(C(C1C(=O)C(CC)C)=O)C(=CC(=O)O2)CCCCC
SPLASH splash10-0udj-0019700000-dc8685cc44a931c2eb2c
Source of Spectrum KC-1987-327-12
Wiley ID 1392475