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(9' Z)-4',5'-Didehydro-5',6'-dihydro-.beta.,.beta.-carotene-3,3'-diol
SpectraBase Compound ID GVkbph8ZBtu
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21-,24-22+,29-15+,30-16+,31-19-,32-20+
InChIKey KBPHJBAIARWVSC-AFHIJUHWSA-N
Mol Weight 568.9 g/mol
Molecular Formula C40H56O2
Exact Mass 568.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96kVUEncpv7
Name (9' Z)-4',5'-Didehydro-5',6'-dihydro-.beta.,.beta.-carotene-3,3'-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21-,24-22+,29-15+,30-16+,31-19-,32-20+
InChIKey KBPHJBAIARWVSC-AFHIJUHWSA-N
Molecular Weight 568.886 g/mol
SMILES OC1CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C/(\C=C/C2C(CC(C=C2C)O)(C)C)C)C)C)C)C(C1)(C)C)C
SPLASH splash10-014r-2152090000-050772af0fc524670d51
Source of Spectrum H-87-2177-9
Wiley ID 1564032