CID 16019986
Cimicifoetiside b
Structural Information
- Molecular Formula
- C39H60O11
- SMILES
- C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)OC(=O)C)C)O2)C(C)(C)OC(=O)C
- InChI
- InChI=1S/C39H60O11/c1-19-16-23-30(34(6,7)48-21(3)41)50-39(49-23)29(19)35(8)14-15-38-18-37(38)13-12-26(47-31-28(46-20(2)40)27(43)22(42)17-45-31)33(4,5)24(37)10-11-25(38)36(35,9)32(39)44/h19,22-32,42-44H,10-18H2,1-9H3/t19-,22+,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,35-,36-,37-,38+,39+/m1/s1
- InChIKey
- DEEGQLBLXWGMCY-HNGFUVDTSA-N
- Compound name
- [(2S,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-22-(2-acetyloxypropan-2-yl)-2-hydroxy-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 705.42088 | 262.6 |
[M+Na]+ | 727.40282 | 266.4 |
[M-H]- | 703.40632 | 261.7 |
[M+NH4]+ | 722.44742 | 264.0 |
[M+K]+ | 743.37676 | 261.9 |
[M+H-H2O]+ | 687.41086 | 252.4 |
[M+HCOO]- | 749.41180 | 265.4 |
[M+CH3COO]- | 763.42745 | 268.6 |
[M+Na-2H]- | 725.38827 | 277.8 |
[M]+ | 704.41305 | 266.1 |
[M]- | 704.41415 | 266.1 |
Literature stripe
Patent stripe
No patent data available for this compound.