CID 10819182
Pitipeptolide b
Structural Information
- Molecular Formula
- C44H67N5O9
- SMILES
- CC[C@H](C)[C@H]1C(=O)NCC(=O)O[C@H](C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2CCC[C@H]2C(=O)N1)[C@@H](C)CC)CC3=CC=CC=C3)C)C(C)C)(C)C)CCCC=C
- InChI
- InChI=1S/C44H67N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h11,15,17-18,20-21,27-29,31-33,35-37H,1,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33-,35-,36-,37-/m0/s1
- InChIKey
- WXTNWSNJAHRKRT-XXMTWPQQSA-N
- Compound name
- (3S,6S,9S,13S,19S,22S)-6-benzyl-3,19-bis[(2S)-butan-2-yl]-7,12,12-trimethyl-13-pent-4-enyl-9-propan-2-yl-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 810.50118 | 276.5 |
[M+Na]+ | 832.48312 | 279.9 |
[M-H]- | 808.48662 | 268.5 |
[M+NH4]+ | 827.52772 | 274.3 |
[M+K]+ | 848.45706 | 258.1 |
[M+H-H2O]+ | 792.49116 | 250.9 |
[M+HCOO]- | 854.49210 | 275.3 |
[M+CH3COO]- | 868.50775 | 293.9 |
[M+Na-2H]- | 830.46857 | 282.7 |
[M]+ | 809.49335 | 283.6 |
[M]- | 809.49445 | 283.6 |
Literature stripe
Patent stripe
No patent data available for this compound.