Capsorubin

Datasheet MSDS
Catalog Number
ANC04912
Product Name
Capsorubin
CAS Number
470-38-2
IUPAC Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione
Synonyms
(3S,3'S,5R,5'R)-3,3'-Dihydroxy-κ,κ-carotene-6,6'-dione; (1R,1R,4S,4S)-(all-E)-1,20-Bis(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16,18-eicosanonaene-1,20-dione; Capsorubin; all-trans-Capsorubin
Molecular Formula
C40H56O4
Molecular Weight
600.884
SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)[C@]1(C(C[C@@H](C1)O)(C)C)C)/C)/C)/C=C/C=C(/C=C/C(=O)[C@]2(C(C[C@@H](C2)O)(C)C)C)\C
InChI
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(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-/m0/s1
InChI Key
GVOIABOMXKDDGU-YUURSNASSA-N
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