| SpectraBase Spectrum ID |
4HEsijU0WVg |
| Name |
.beta.,.beta.-Carotene, 3,3'-bis(acetyloxy)-5,5',6,6'-tetrahydro-5,5',6,6'-tetrahydroxy-, (3S,3'S,5S,5'S,6S,6'S)- |
| CAS Registry Number |
96193-12-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H64O8 |
| InChI |
InChI=1S/C44H64O8/c1-31(19-15-21-33(3)23-25-43(49)39(7,8)27-37(51-35(5)45)29-41(43,11)47)17-13-14-18-32(2)20-16-22-34(4)24-26-44(50)40(9,10)28-38(52-36(6)46)30-42(44,12)48/h13-26,37-38,47-50H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t37-,38-,41-,42-,43-,44-/m0/s1 |
| InChIKey |
FSRHLBLGZZKTBO-IIBZYKFBSA-N |
| Molecular Weight |
720.988 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@]2([C@](C[C@](CC2(C)C)(OC(=O)C)[H])(O)C)O)C)C)C)C)(C(C[C@@](C1)(OC(=O)C)[H])(C)C)O)C |
| SPLASH |
splash10-0006-9020001100-5d82e1877f678a1223e8 |
| Source of Spectrum |
H-67-2055-0 |
| Synonyms |
(1S,3S,4S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,2S,4S)-4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl}-3,4-dihydroxy-3,5,5-trimethylcyclohexyl acetate
3,3'-di-O-acetyl derivative of (3S,5S,6S,3'S,5'S,6'S)-5,6,5',6'-tetrahydro-.beta.,.beta.-carotine-3,5,6,3',5',6'-hexol |
| Wiley ID |
1415639 |
