| SpectraBase Spectrum ID |
2vAmzSrIDmw |
| Name |
(2R,5R,2'R,5' R)-Isocapsorubin |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H56O4 |
| InChI |
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-25-33(41)37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-26-34(42)38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39+,40+/m1/s1 |
| InChIKey |
VEKKERPCHMHHGW-DMCYWAKUSA-N |
| Literature Reference DOI |
10.1002/hlca.19830660706 |
| Molecular Weight |
600.884 g/mol |
| SMILES |
O[C@@]1(CC[C@@](C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C([C@@]2(CC[C@](C2(C)C)(O)[H])C)=O)C)C)C)C)=O)(C1(C)C)C)[H] |
| SPLASH |
splash10-052f-8900000000-37c85bf510e23a022ac4 |
| Source of Spectrum |
H-66-1955-22a |
| Synonyms |
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis((1R,3R)-3-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione |
| Wiley ID |
1797621 |
