CID 162886810
(1r)-4-[(1e,3z,5e,7e,9e,11e,13e,15z,17e)-18-[(1r,4r)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,15-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Structural Information
- Molecular Formula
- C40H56O2
- SMILES
- CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C(=C/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)\C)\C)/C
- InChI
- InChI=1S/C40H56O2/c1-29(17-13-18-32(4)23-24-38-34(6)26-36(42)28-40(38,9)10)15-11-12-16-30(2)21-22-31(3)19-14-20-37-33(5)25-35(41)27-39(37,7)8/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,20-14+,22-21+,24-23+,29-15+,30-16+,31-19-,32-18-/t35-,36+,37-/m0/s1
- InChIKey
- CYJSOHOPVZDWOP-WPFKTIIXSA-N
- Compound name
- (1R)-4-[(1E,3Z,5E,7E,9E,11E,13E,15Z,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,15-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 569.43532 | 239.8 |
[M+Na]+ | 591.41726 | 240.1 |
[M-H]- | 567.42076 | 240.3 |
[M+NH4]+ | 586.46186 | 247.4 |
[M+K]+ | 607.39120 | 229.2 |
[M+H-H2O]+ | 551.42530 | 234.4 |
[M+HCOO]- | 613.42624 | 245.0 |
[M+CH3COO]- | 627.44189 | 257.0 |
[M+Na-2H]- | 589.40271 | 225.3 |
[M]+ | 568.42749 | 235.5 |
[M]- | 568.42859 | 235.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.