CID 168010368
Arthrospiramide b
Structural Information
- Molecular Formula
- C44H61N9O7S3
- SMILES
- CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCCC2C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C(=O)NCC(=O)N1)CC5=CC=CC=C5)CCSC)CC(C)C)C(C)C
- InChI
- InChI=1S/C44H61N9O7S3/c1-24(2)18-29-39(57)52-36(26(5)6)41(59)48-30(19-25(3)4)38(56)47-28(15-17-61-7)44(60)53-16-11-14-34(53)43-51-33(23-63-43)40(58)49-31(20-27-12-9-8-10-13-27)42-50-32(22-62-42)37(55)45-21-35(54)46-29/h8-10,12-13,22-26,28-31,34,36H,11,14-21H2,1-7H3,(H,45,55)(H,46,54)(H,47,56)(H,48,59)(H,49,58)(H,52,57)/t28-,29-,30-,31?,34?,36-/m0/s1
- InChIKey
- SVOJYSSWZIZZFE-WNMQVPGQSA-N
- Compound name
- (8S,11S,14S,17S)-27-benzyl-11,17-bis(2-methylpropyl)-8-(2-methylsulfanylethyl)-14-propan-2-yl-25,32-dithia-6,9,12,15,18,21,28,33,34-nonazatetracyclo[28.2.1.123,26.02,6]tetratriaconta-1(33),23,26(34),30-tetraene-7,10,13,16,19,22,29-heptone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 924.39288 | 257.9 |
[M+Na]+ | 946.37482 | 269.2 |
[M-H]- | 922.37832 | 249.5 |
[M+NH4]+ | 941.41942 | 258.7 |
[M+K]+ | 962.34876 | 250.9 |
[M+H-H2O]+ | 906.38286 | 232.4 |
[M+HCOO]- | 968.38380 | 259.7 |
[M+CH3COO]- | 982.39945 | 262.6 |
[M+Na-2H]- | 944.36027 | 247.9 |
[M]+ | 923.38505 | 280.6 |
[M]- | 923.38615 | 280.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.