CID 130750
Hl 706
Structural Information
- Molecular Formula
- C27H43NO7
- SMILES
- C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)OC(=O)CN4CCCCC4)(C)C)O)C)O)C=C
- InChI
- InChI=1S/C27H43NO7/c1-7-24(4)15-18(30)27(33)25(5)17(29)11-12-23(2,3)21(25)20(22(32)26(27,6)35-24)34-19(31)16-28-13-9-8-10-14-28/h7,17,20-22,29,32-33H,1,8-16H2,2-6H3/t17-,20-,21-,22-,24-,25-,26+,27-/m0/s1
- InChIKey
- BKGCWFFZEATAAG-XGUNBQNXSA-N
- Compound name
- [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 2-piperidin-1-ylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 494.31124 | 213.7 |
[M+Na]+ | 516.29318 | 217.9 |
[M-H]- | 492.29668 | 214.8 |
[M+NH4]+ | 511.33778 | 227.8 |
[M+K]+ | 532.26712 | 216.5 |
[M+H-H2O]+ | 476.30122 | 207.5 |
[M+HCOO]- | 538.30216 | 212.0 |
[M+CH3COO]- | 552.31781 | 237.1 |
[M+Na-2H]- | 514.27863 | 213.8 |
[M]+ | 493.30341 | 209.9 |
[M]- | 493.30451 | 209.9 |
Literature stripe
No literature data available for this compound.