| SpectraBase Spectrum ID |
3WnVNc8kC0M |
| Name |
(all-E,3S,5R,8S,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-WBMODZGDSA-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-1390133000-67791f6cc6779e526fb6 |
| Source of Spectrum |
H-81-1252-1252_1 |
| Synonyms |
(2S,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 |
1785326 |
