CID 121353
Pleiatensin
Structural Information
- Molecular Formula
- C40H54N2O9
- SMILES
- CCN(CC)CCN1C2=C(C=CC(=C2)OC)C3=C1[C@H]4C[C@H]5[C@H](C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CC4CC3
- InChI
- InChI=1S/C40H54N2O9/c1-9-41(10-2)15-16-42-31-21-26(45-3)12-14-27(31)28-13-11-23-17-24-18-34(38(49-7)35(40(44)50-8)29(24)22-30(23)36(28)42)51-39(43)25-19-32(46-4)37(48-6)33(20-25)47-5/h12,14,19-21,23-24,29-30,34-35,38H,9-11,13,15-18,22H2,1-8H3/t23?,24-,29-,30-,34+,35-,38-/m0/s1
- InChIKey
- LJXKRFZEIOIWDX-OGZFFLEZSA-N
- Compound name
- methyl (1S,2R,3R,4aS,12bS,13aS)-12-[2-(diethylamino)ethyl]-2,10-dimethoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,4a,5,5a,6,7,12b,13,13a-dodecahydronaphtho[7,6-a]carbazole-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 707.39021 | 271.4 |
[M+Na]+ | 729.37215 | 270.4 |
[M-H]- | 705.37565 | 278.0 |
[M+NH4]+ | 724.41675 | 273.0 |
[M+K]+ | 745.34609 | 270.5 |
[M+H-H2O]+ | 689.38019 | 259.3 |
[M+HCOO]- | 751.38113 | 276.6 |
[M+CH3COO]- | 765.39678 | 292.2 |
[M+Na-2H]- | 727.35760 | 262.5 |
[M]+ | 706.38238 | 281.1 |
[M]- | 706.38348 | 281.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.