CID 73092639
Aquifoliunine ei
Structural Information
- Molecular Formula
- C43H49NO18
- SMILES
- CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
- InChI
- InChI=1S/C43H49NO18/c1-20-21(2)37(50)61-34-32(56-23(4)46)36(59-26(7)49)42(19-54-22(3)45)35(58-25(6)48)31(60-38(51)27-14-11-10-12-15-27)29-33(57-24(5)47)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3
- InChIKey
- KEGLSEMSUHHFTM-UHFFFAOYSA-N
- Compound name
- [18,19,21,24-tetraacetyloxy-20-(acetyloxymethyl)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-22-yl] benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 868.30228 | 272.0 |
[M+Na]+ | 890.28422 | 273.7 |
[M-H]- | 866.28772 | 272.7 |
[M+NH4]+ | 885.32882 | 272.8 |
[M+K]+ | 906.25816 | 257.1 |
[M+H-H2O]+ | 850.29226 | 257.7 |
[M+HCOO]- | 912.29320 | 274.0 |
[M+CH3COO]- | 926.30885 | 277.1 |
[M+Na-2H]- | 888.26967 | 287.8 |
[M]+ | 867.29445 | 286.0 |
[M]- | 867.29555 | 286.0 |
Literature stripe
Patent stripe
No patent data available for this compound.