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2-[(1E,3E,5E,7E,9E,11E,13E)-14-(4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-1,5,10-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-o

View entire compound with spectra: 1 MS (GC)

2-[(1E,3E,5E,7E,9E,11E,13E)-14-(4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-1,5,10-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-o
SpectraBase Compound ID 5gOFxMczyKt
InChI InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+
InChIKey KCYOZNARADAZIZ-CWBQGUJCSA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H56O3
Exact Mass 584.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J90UKgdYQkR
Name 2-[(1E,3E,5E,7E,9E,11E,13E)-14-(4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-1,5,10-trimethyl-1,3,5,7,9,11,13-pentadecaheptaenyl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-o
CAS Registry Number 73745-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O3
InChI InChI=1S/C40H56O3/c1-28(18-13-20-30(3)33-24-35-37(5,6)22-15-23-39(35,9)42-33)16-11-12-17-29(2)19-14-21-31(4)34-25-36-38(7,8)26-32(41)27-40(36,10)43-34/h11-14,16-21,24-25,32-34,41H,15,22-23,26-27H2,1-10H3/b12-11+,18-13+,19-14+,28-16+,29-17+,30-20+,31-21+
InChIKey KCYOZNARADAZIZ-CWBQGUJCSA-N
Molecular Weight 584.885 g/mol
SMILES OC1CC2(OC(\C(=C\C=C\C(=C\C=C\C=C/(C)\C=C\C=C/(C)C3OC4(C)CCCC(C)(C)C4=C3)C)C)C=C2C(C1)(C)C)C
SPLASH splash10-0aw9-0391120000-4ebe212a2a28dfcdff59
Source of Spectrum W5-1989-35239-30297
Synonyms 2-[(1E,3E,5E,7E,9E,11E,13E)-14-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-1,5,10-trimethyl-pentadeca-1,3,5,7,9,11,13-heptaenyl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol 2-[(2E,4E,6E,8E,10E,12E,14E)-15-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethyl-hexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 2-[(2E,4E,6E,8E,10E,12E,14E)-15-(4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-6-ol Cryptochrome
Wiley ID 1408914