| SpectraBase Spectrum ID |
AKYV7hznWQd |
| Name |
(2R,5R,2'R,5'R)-Isocapsorubin-diacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H60O6 |
| InChI |
InChI=1S/C44H60O6/c1-31(19-15-21-33(3)23-25-37(47)43(11)29-27-39(41(43,7)8)49-35(5)45)17-13-14-18-32(2)20-16-22-34(4)24-26-38(48)44(12)30-28-40(42(44,9)10)50-36(6)46/h13-26,39-40H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t39-,40-,43+,44+/m1/s1 |
| InChIKey |
XQZOUHRQIJYNNH-OLVMVJIXSA-N |
| Literature Reference DOI |
10.1002/hlca.19830660706 |
| Molecular Weight |
684.958 g/mol |
| SMILES |
C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C(=O)[C@@]1(CC[C@](C1(C)C)(OC(C)=O)[H])C)C)C)C)C)(=O)[C@@]1(CC[C@](C1(C)C)(OC(C)=O)[H])C |
| SPLASH |
splash10-056u-3900000000-0a2efe406230c4b20ddf |
| Source of Spectrum |
H-66-1955-22b |
| Synonyms |
2,2'-Di-O-acetylisocapsorubin
(1R,1'R,3R,3'R)-((2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioyl)bis(2,2,3-trimethylcyclopentane-3,1-diyl) diacetate |
| Wiley ID |
1797622 |
