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

*Links on SpectraBase are not permalinks.

3,8'-Dihydroxy-7,8-didehydro-beta,kappa-carotene-3',6'-dione

View entire compound with spectra: 1 MS (GC)

3,8'-Dihydroxy-7,8-didehydro-beta,kappa-carotene-3',6'-dione
SpectraBase Compound ID 3uBZ2q4lMN1
InChI InChI=1S/C40H52O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33,41,43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-
InChIKey AEOORGIQHLESFZ-FAIJJFIFSA-N
Mol Weight 596.9 g/mol
Molecular Formula C40H52O4
Exact Mass 596.38656 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 B0uE1y3TJ8L
Name 3,8'-Dihydroxy-7,8-didehydro-beta,kappa-carotene-3',6'-dione
CAS Registry Number 83746-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H52O4
InChI InChI=1S/C40H52O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33,41,43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-
InChIKey AEOORGIQHLESFZ-FAIJJFIFSA-N
Molecular Weight 596.852 g/mol
SMILES O\C(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C#CC1=C(CC(CC1(C)C)O)C)C)C)C)C)=C/C(=O)C1(C)CC(=O)CC1(C)C
SPLASH splash10-004j-0400190000-f7b2ccddfe6914ab1a90
Source of Spectrum W5-1989-38445-27091
Synonyms 3,3,4-trimethyl-4-[(2Z,4E,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-3-oxidanyl-19-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)nonadeca-2,4,6,8,10,12,14,16-octaen-18-ynoyl]cyclopentan-1-one 3-[(2Z,4E,6E,8E,10E,12E,14E,16E)-3-hydroxy-19-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-4,8,13,17-tetramethyl-1-oxononadeca-2,4,6,8,10,12,14,16-octaen-18-ynyl]-3,4,4-trimethyl-1-cyclopentanone 3-[(2Z,4E,6E,8E,10E,12E,14E,16E)-3-hydroxy-19-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-4,8,13,17-tetramethyl-nonadeca-2,4,6,8,10,12,14,16-octaen-18-ynoyl]-3,4,4-trimethyl-cyclopentanone 3-[(2Z,4E,6E,8E,10E,12E,14E,16E)-3-hydroxy-19-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16-octaen-18-ynoyl]-3,4,4-trimethylcyclopentan-1-one Mytiloxanthinone
Wiley ID 1409864