CID 443343
7-epiloganin tetraacetate
Structural Information
- Molecular Formula
- C25H34O14
- SMILES
- C[C@H]1[C@@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O
- InChI
- InChI=1S/C25H34O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,17-22,24-25,30H,7,9H2,1-6H3/t10-,15+,17+,18+,19+,20+,21-,22+,24-,25-/m0/s1
- InChIKey
- WZCFCKSAJWMDCC-QXKHIQGTSA-N
- Compound name
- methyl (1S,4aS,6R,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 559.20218 | 215.8 |
[M+Na]+ | 581.18412 | 216.7 |
[M-H]- | 557.18762 | 221.9 |
[M+NH4]+ | 576.22872 | 219.1 |
[M+K]+ | 597.15806 | 223.0 |
[M+H-H2O]+ | 541.19216 | 210.4 |
[M+HCOO]- | 603.19310 | 223.1 |
[M+CH3COO]- | 617.20875 | 253.2 |
[M+Na-2H]- | 579.16957 | 208.5 |
[M]+ | 558.19435 | 226.1 |
[M]- | 558.19545 | 226.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.