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

*Links on SpectraBase are not permalinks.
(all-E,3S,5R,8R,3'S,5'R)-5,8-Epoxy-5,6-dihydro-beta,kappa-caroten-3,3',6'-triol
SpectraBase Compound ID 7CjCvKujckG
InChI InChI=1S/C40H58O4/c1-28(17-13-18-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8)15-11-12-16-29(2)19-14-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34/h11-23,32-34,36,41-43H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,36?,39-,40+/m0/s1
InChIKey RRNYYGZTIXGNOE-NJDAFFGXSA-N
Mol Weight 602.9 g/mol
Molecular Formula C40H58O4
Exact Mass 602.43351 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 6GvQVuIh5Qe
Name (all-E,3S,5R,8R,3'S,5'R)-5,8-Epoxy-5,6-dihydro-beta,kappa-caroten-3,3',6'-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O4
InChI InChI=1S/C40H58O4/c1-28(17-13-18-30(3)21-22-36(43)39(9)26-33(42)25-38(39,7)8)15-11-12-16-29(2)19-14-20-31(4)34-23-35-37(5,6)24-32(41)27-40(35,10)44-34/h11-23,32-34,36,41-43H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,36?,39-,40+/m0/s1
InChIKey RRNYYGZTIXGNOE-NJDAFFGXSA-N
Literature Reference DOI 10.1002/hlca.19980810535
Molecular Weight 602.900 g/mol
SMILES O[C@]1(CC([C@](C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\([C@@]2(O[C@@]3(C[C@](CC(C)(C)C3=C2)(O)[H])C)[H])C)C)C)C)O)(C1)C)(C)C)[H]
SPLASH splash10-0fki-2390033000-62b5563719ecb95e1d8b
Source of Spectrum H-81-1251-1251_3
Synonyms (2R,6S,7aR)-2-((2E,4E,6E,8E,10E,12E,14E,16E)-18-hydroxy-18-((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-6,11,15-trimethyloctadeca-2,4,6,8,10,12,14,16-octaen-2-yl)-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydrobenzofuran-6-ol
Wiley ID 1785325