CID 154700045
Ns00117755
Structural Information
- Molecular Formula
- C42H65NO12
- SMILES
- CC1CC(C(C2CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(/C1)\C)CC=C)O)C)/C(=C/C4CCC(C(C4)OC)O)/C)O)C)O)O
- InChI
- InChI=1S/C42H65NO12/c1-8-11-29-17-23(2)16-24(3)18-34(47)37(48)36-20-26(5)42(52,55-36)39(49)40(50)43-15-10-9-12-30(43)41(51)54-38(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)35(21-28)53-7/h8,17,19,24,26-32,34-38,44-45,47-48,52H,1,9-16,18,20-22H2,2-7H3/b23-17+,25-19+
- InChIKey
- WDXIEWFELKAMEX-XMKWMFEPSA-N
- Compound name
- (18E)-1,14,23,24-tetrahydroxy-12-[(E)-1-(4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl]-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[23.2.1.04,9]octacos-18-ene-2,3,10,16-tetrone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 776.45798 | 279.5 |
[M+Na]+ | 798.43992 | 282.3 |
[M-H]- | 774.44342 | 273.8 |
[M+NH4]+ | 793.48452 | 278.2 |
[M+K]+ | 814.41386 | 268.9 |
[M+H-H2O]+ | 758.44796 | 257.5 |
[M+HCOO]- | 820.44890 | 279.3 |
[M+CH3COO]- | 834.46455 | 282.3 |
[M+Na-2H]- | 796.42537 | 293.9 |
[M]+ | 775.45015 | 281.3 |
[M]- | 775.45125 | 281.3 |
Literature stripe
Patent stripe
No patent data available for this compound.