| SpectraBase Spectrum ID |
3DC3FnpbtXJ |
| Name |
(all-E,3S,5R,6S,3'S,5'R)-5,6-dihydro-beta,kappa-caroten-3,5,6,3,'6'-pentol |
| Alternate Name(s) |
(1S,2R,4S)-1-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-((1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl)-2,6,6-trimethylcyclohexane-1,2,4-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H60O5 |
| InChI |
InChI=1S/C40H60O5/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-24,33-35,41-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,35?,38-,39+,40-/m0/s1 |
| InChIKey |
IEJQAKJIEFIKHH-XGDDJGLSSA-N |
| Literature Reference DOI |
10.1002/hlca.19980810535 |
| Molecular Weight |
620.915 g/mol |
| SMILES |
O[C@@]1(C[C@](CC([C@]1(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C([C@]1(C(C)(C)C[C@@](C1)(O)[H])C)O)C)C)C)C)O)(C)C)(O)[H])C |
| SPLASH |
splash10-000x-9610000000-2e0db895b57d33c87839 |
| Source of Spectrum |
H-81-1250-1250_1 |
| Wiley ID |
1785324 |
