CID 6475570
17-dimethylaminolobohedleolide
Structural Information
- Molecular Formula
- C22H33NO4
- SMILES
- C/C/1=C\CC/C(=C/CC/C(=C/[C@H]2[C@@H](CC1)[C@@H](C(=O)O2)CN(C)C)/C)/C(=O)O
- InChI
- InChI=1S/C22H33NO4/c1-15-7-5-9-17(21(24)25)10-6-8-16(2)13-20-18(12-11-15)19(14-23(3)4)22(26)27-20/h7,10,13,18-20H,5-6,8-9,11-12,14H2,1-4H3,(H,24,25)/b15-7+,16-13+,17-10-/t18-,19-,20-/m0/s1
- InChIKey
- HRPBIJBOFQXOTL-JEJSWHNFSA-N
- Compound name
- (3R,3aS,6E,10Z,14E,15aR)-3-[(dimethylamino)methyl]-6,14-dimethyl-2-oxo-3a,4,5,8,9,12,13,15a-octahydro-3H-cyclotetradeca[b]furan-10-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 376.24825 | 189.9 |
[M+Na]+ | 398.23019 | 193.8 |
[M-H]- | 374.23369 | 193.2 |
[M+NH4]+ | 393.27479 | 200.6 |
[M+K]+ | 414.20413 | 193.0 |
[M+H-H2O]+ | 358.23823 | 187.5 |
[M+HCOO]- | 420.23917 | 204.8 |
[M+CH3COO]- | 434.25482 | 217.6 |
[M+Na-2H]- | 396.21564 | 185.2 |
[M]+ | 375.24042 | 186.7 |
[M]- | 375.24152 | 186.7 |
Literature stripe
Patent stripe
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