| SpectraBase Compound ID | J6TxU9WcS54 |
|---|---|
| InChI | InChI=1S/C48H75ClN10O13/c1-9-11-12-15-35(60)53-31(18-21-37(62)63)42(65)57-39-27(6)72-47(70)38(25(3)4)56-43(66)33(24-28-16-19-34(71-8)29(49)23-28)58(7)46(69)40(26(5)10-2)59-36(61)20-17-32(45(59)68)55-41(64)30(54-44(39)67)14-13-22-52-48(50)51/h16,19,23,25-27,30-33,36,38-40,61H,9-15,17-18,20-22,24H2,1-8H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)/t26?,27?,30-,31-,32-,33-,36+,38-,39-,40-/m0/s1 |
| InChIKey | NCIYGUIDUVAJPC-UITLTYBQSA-N |
| Mol Weight | 1035.6 g/mol |
| Molecular Formula | C48H75ClN10O13 |
| Exact Mass | 1034.52036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6GzUkqPF2ut |
|---|---|
| Name | CYANOPEPTOLIN-CB071 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H75ClN10O13 |
| InChI | InChI=1S/C48H75ClN10O13/c1-9-11-12-15-35(60)53-31(18-21-37(62)63)42(65)57-39-27(6)72-47(70)38(25(3)4)56-43(66)33(24-28-16-19-34(71-8)29(49)23-28)58(7)46(69)40(26(5)10-2)59-36(61)20-17-32(45(59)68)55-41(64)30(54-44(39)67)14-13-22-52-48(50)51/h16,19,23,25-27,30-33,36,38-40,61H,9-15,17-18,20-22,24H2,1-8H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)/t26?,27?,30-,31-,32-,33-,36+,38-,39-,40-/m0/s1 |
| InChIKey | NCIYGUIDUVAJPC-UITLTYBQSA-N |
| Literature Reference Author | H.CHOI,S.K.OH,W.YIH,J.CHIN,H.KANG,J.R.RHO |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1191(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1191 |
| Molecular Weight | 1035.636 g/mol |
| Sample ID | 2092 |
| Solvent | DMSO-D6 |