CID 155802151
7-ome-scytophycin b
Structural Information
- Molecular Formula
- C46H75NO12
- SMILES
- C[C@H]1[C@@H](C[C@@H]([C@]2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](CC=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)C)OC)OC)OC)OC
- InChI
- InChI=1S/C46H75NO12/c1-29-16-19-35(52-8)24-36-14-13-15-37(58-36)25-40(54-10)46(27-57-46)41(55-11)26-39(53-9)33(5)45(59-42(50)21-17-29)34(6)43(51)30(2)18-20-38(49)32(4)44(56-12)31(3)22-23-47(7)28-48/h13-14,16-17,21-23,28,30-37,39-41,43-45,51H,15,18-20,24-27H2,1-12H3/b21-17+,23-22+,29-16?/t30-,31+,32-,33-,34-,35-,36-,37-,39+,40-,41-,43-,44+,45-,46-/m0/s1
- InChIKey
- KCNFUDIOBWGOFU-BCAVVCLJSA-N
- Compound name
- N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-4-methoxy-3,5,9-trimethyl-6-oxo-11-[(1S,3S,4S,5S,7R,8S,9R,12E,17S,19R)-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]dodec-1-enyl]-N-methylformamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 834.53621 | 286.4 |
[M+Na]+ | 856.51815 | 290.5 |
[M-H]- | 832.52165 | 288.0 |
[M+NH4]+ | 851.56275 | 287.9 |
[M+K]+ | 872.49209 | 271.6 |
[M+H-H2O]+ | 816.52619 | 263.1 |
[M+HCOO]- | 878.52713 | 288.7 |
[M+CH3COO]- | 892.54278 | 302.6 |
[M+Na-2H]- | 854.50360 | 312.6 |
[M]+ | 833.52838 | 306.8 |
[M]- | 833.52948 | 306.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.