| SpectraBase Spectrum ID |
AI4Y8SmnAOS |
| Name |
.beta.,.beta.-Caroten-4-one, 3,3'-dihydroxy-, (3R,3'S)- |
| Alternate Name(s) |
(3R,3'S)-3,3'-dihydroxy-.beta.,.beta.-carotin-4-one
(3R,3'S)-3,3'-dihydroxy-beta,.beta.-caroten-4-one |
| CAS Registry Number |
80779-48-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H54O3 |
| InChI |
InChI=1S/C40H54O3/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/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37+/m0/s1 |
| InChIKey |
YECXHLPYMXGEBI-NWGXJELKSA-N |
| Molecular Weight |
582.869 g/mol |
| SMILES |
O[C@]1(C(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)[H] |
| SPLASH |
splash10-0a4l-6920020000-5824d86980cb48568eeb |
| Source of Spectrum |
H-64-2480-0 |
| Wiley ID |
1408715 |
