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

*Links on SpectraBase are not permalinks.

.psi.,.psi.-Carotene, 7,7',8,8',11,11',12,12',15,15'-decahydro-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

.psi.,.psi.-Carotene, 7,7',8,8',11,11',12,12',15,15'-decahydro-
SpectraBase Compound ID IBhx5F8pgNQ
InChI InChI=1S/C40H66/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19-22,27-30H,11-18,23-26,31-32H2,1-10H3/b35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKey BGVXBZXEFXMRGJ-DPOFWPLISA-N
Mol Weight 547.0 g/mol
Molecular Formula C40H66
Exact Mass 546.516452 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 3s96a1gEex6
Name .psi.,.psi.-Carotene, 7,7',8,8',11,11',12,12',15,15'-decahydro-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.516452125 u
Formula C40H66
InChI InChI=1S/C40H66/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h19-22,27-30H,11-18,23-26,31-32H2,1-10H3/b35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKey BGVXBZXEFXMRGJ-DPOFWPLISA-N
Molecular Weight 546.968 g/mol
SMILES C(\C(=C\CC\C(=C\CC\C=C\(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C\C=C\(CCC=C(C)C)C