| SpectraBase Spectrum ID |
4X17uQFgbLO |
| Name |
.beta.,.epsilon.-Carotene-3,3',4-triol, (3S,3'R,6'R)- |
| CAS Registry Number |
68474-24-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H56O3 |
| InChI |
InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37-38,41-43H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35+,37-,38?/m1/s1 |
| InChIKey |
RDHCMKIXMMGSAD-TUTXOJBXSA-N |
| Molecular Weight |
584.885 g/mol |
| SMILES |
OC1C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\[C@@]2(C(C[C@@](C=C2C)(O)[H])(C)C)[H])C)C)C)C)C(C[C@]1(O)[H])(C)C)C |
| SPLASH |
splash10-001r-0000190000-e33d7d9d01234d7fd0f9 |
| Source of Spectrum |
H-61-1967-0 |
| Synonyms |
(3R,3'S,6'R)-4',5'-didehydro-5',6'-dihydro-beta,.beta.-carotene-3,3',4-triol
(3S,4RS,3'R,6'R)-.beta.,.epsilon.-Carotin-3,3',4-triol |
| Wiley ID |
1408905 |
