| SpectraBase Spectrum ID |
KKg7fXK4jYC |
| Name |
.beta.,.beta.-Caroten-4-one, 2,3-didehydro-3,3'-dihydroxy-, (3'S)- |
| CAS Registry Number |
80794-82-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H52O3 |
| InChI |
InChI=1S/C40H52O3/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/h11-24,27,34,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-/m0/s1 |
| InChIKey |
GFRPPAKBDXYCAE-XESYRCJESA-N |
| Molecular Weight |
580.853 g/mol |
| SMILES |
OC=1C(C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=2C(C[C@](CC2C)(O)[H])(C)C)C)C)C)C)C(C1)(C)C)C)=O |
| SPLASH |
splash10-0k96-6960010000-a641af29e1903f577822 |
| Source of Spectrum |
H-64-2481-0 |
| Synonyms |
(3'S)-3,3'-dihydroxy-2,3-didehydro-.beta.,.beta.-carotin-4-one
(3'S)-3,3'-dihydroxy-2,3-didehydro-beta,.beta.-caroten-4-one |
| Wiley ID |
1408551 |
