| SpectraBase Spectrum ID |
6zDTfzoTPvU |
| Name |
.beta.,.beta.-Carotene-4,4'-dione, 2,3-didehydro-3,3'-dihydroxy-, (3'R)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.370910086 u |
| Formula |
C40H50O4 |
| InChI |
InChI=1S/C40H50O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-25,36,41-42H,26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t36-/m1/s1 |
| InChIKey |
RXXKAJLYZUKPQH-AKWONVHUSA-N |
| Molecular Weight |
594.836 g/mol |
| SMILES |
C1(=C(C(=O)C(=CC1(C)C)O)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(C(=O)[C@@](CC1(C)C)(O)[H])C)C)C)C)C |
