| SpectraBase Spectrum ID |
AMKXbCtjTLE |
| Name |
(3S,5R,6R,3'S,5'R)-5,6-Dihydro-3,5,6,3'-tetrahydroxy-.beta.,.kappa.-carotene-6'-one |
| Alternate Name(s) |
(3S,3'S,5S,5'R,6R)-3,3',5,6-tetrahydroxy-5,6-dihydro-beta,kappa-caroten-6'-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H58O5 |
| InChI |
InChI=1S/C40H58O5/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/h11-24,33-34,41-42,44-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39-,40+/m0/s1 |
| InChIKey |
LYYDEPKDTUIGFR-SZDXZRDASA-N |
| Molecular Weight |
618.899 g/mol |
| SMILES |
O[C@@]1(C[C@@]([C@](C(C1)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C([C@]1(C(C[C@@](C1)(O)[H])(C)C)C)=O)C)C)C)C)O)(O)C)[H] |
| SPLASH |
splash10-0006-9620001000-ff629aad879163e33ab3 |
| Source of Spectrum |
H-81-1249-7 |
| Wiley ID |
1411461 |
