CID 54702959
Sf2575
Structural Information
- Molecular Formula
- C40H43NO15
- SMILES
- C/C=C(\C)/C(=O)OC1C(OC(CC1O)C2=C(C3=C(C=C2)C(C4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)OC)O)C(=O)N)OC(=O)C6=CC=CC=C6O)(C)OC)O)C
- InChI
- InChI=1S/C40H43NO15/c1-7-16(2)37(50)55-32-17(3)54-25(15-24(32)43)19-12-13-20-26(29(19)44)30(45)27-21(39(20,4)52-5)14-22-33(56-38(51)18-10-8-9-11-23(18)42)31(46)28(36(41)49)35(48)40(22,53-6)34(27)47/h7-13,17,21-22,24-25,32-33,42-45,48H,14-15H2,1-6H3,(H2,41,49)/b16-7+
- InChIKey
- WYRYRHFKSQKGHJ-FRKPEAEDSA-N
- Compound name
- [3-carbamoyl-4,6,7-trihydroxy-8-[4-hydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]-4a,11-dimethoxy-11-methyl-2,5-dioxo-1,11a,12,12a-tetrahydrotetracen-1-yl] 2-hydroxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 778.27052 | 266.1 |
[M+Na]+ | 800.25246 | 270.8 |
[M-H]- | 776.25596 | 266.6 |
[M+NH4]+ | 795.29706 | 268.6 |
[M+K]+ | 816.22640 | 259.3 |
[M+H-H2O]+ | 760.26050 | 253.4 |
[M+HCOO]- | 822.26144 | 269.9 |
[M+CH3COO]- | 836.27709 | 273.2 |
[M+Na-2H]- | 798.23791 | 292.1 |
[M]+ | 777.26269 | 285.6 |
[M]- | 777.26379 | 285.6 |