CID 134724340
Liliaxanthin
Structural Information
- Molecular Formula
- C40H56O4
- SMILES
- CC1=C(C(C[C@@H]([C@@H]1O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/C)/C
- InChI
- InChI=1S/C40H56O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(44)35(42)27-38(34,6)7)15-11-12-16-29(2)18-14-20-31(4)22-24-36(43)40(10)26-33(41)25-39(40,8)9/h11-24,33,35,37,41-42,44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t33-,35-,37+,40-/m0/s1
- InChIKey
- CLUNNEXDLNOYRX-DVURGGGQSA-N
- Compound name
- (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(3R,4S)-3,4-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 601.42513 | 241.9 |
[M+Na]+ | 623.40707 | 242.4 |
[M-H]- | 599.41057 | 241.4 |
[M+NH4]+ | 618.45167 | 251.1 |
[M+K]+ | 639.38101 | 232.6 |
[M+H-H2O]+ | 583.41511 | 240.1 |
[M+HCOO]- | 645.41605 | 246.0 |
[M+CH3COO]- | 659.43170 | 258.2 |
[M+Na-2H]- | 621.39252 | 226.9 |
[M]+ | 600.41730 | 238.7 |
[M]- | 600.41840 | 238.7 |
Literature stripe
Patent stripe
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