| SpectraBase Spectrum ID |
FKAaUawbyrs |
| Name |
(3S,5R,6S,3'S,5'R,6'R)-6,7-didehydro-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-3,5,6,3',5'-pentol,3,3'-diacetate |
| CAS Registry Number |
63975-64-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H62O7 |
| InChI |
InChI=1S/C44H62O7/c1-31(19-15-21-33(3)23-24-39-40(7,8)27-37(50-35(5)45)29-42(39,11)47)17-13-14-18-32(2)20-16-22-34(4)25-26-44(49)41(9,10)28-38(51-36(6)46)30-43(44,12)48/h13-24,37-39,47-49H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,24-23+,31-17+,32-18+,33-21+,34-22+/t37-,38-,39+,42+,43+,44+/m0/s1 |
| InChIKey |
DJZIIRYLWWDWGI-FUSGPHSFSA-N |
| Molecular Weight |
702.973 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)[H])C |
| SPLASH |
splash10-0f8i-0010009100-ef0fc2234af01fffd0ea |
| Source of Spectrum |
W5-1989-64930-606 |
| Synonyms |
(1S,3R,4R)-4-{(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(1S,2R,4S)-4-(acetyloxy)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15-octadecaoctaen-17-ynyl}-3-hydroxy-3,5,5-trimethylcyclohexyl acetate |
| Wiley ID |
1415112 |
