| SpectraBase Spectrum ID |
BmoTt076dkV |
| Name |
(3S,5S,8R,3'S,5'R)-5,6-Dihydro-5,8-epoxy-3,3'-dihydroxy-.beta.,.kappa.-carotene-6'-one |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H56O4 |
| InChI |
InChI=1S/C40H56O4/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/h11-23,32-34,41-42H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,33-,34+,39-,40-/m0/s1 |
| InChIKey |
WPXHAEKYWJBTNX-IMQFEMRASA-N |
| Molecular Weight |
600.884 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(C[C@@](C3)(O)[H])(C)C)=C2)C)[H])C)C)C)C)=O)(C1)C)(C)C)[H] |
| SPLASH |
splash10-0596-5690112000-9ab1612a3bde7754128c |
| Source of Spectrum |
H-81-1253-14 |
| Synonyms |
(3S,5S,8R,3'S,5'R)-5,8-Epoxy-5,6-dihydro-3,3'-dihydroxy-.beta.,.kappa.-caroten-6'-one
(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(2R,6S,7aS)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13-trimethyl-2,4,6,8,10,12,14,16-octadecaoctaen-1-one |
| Wiley ID |
1410200 |
