| SpectraBase Compound ID | EjqUljowCf2 |
|---|---|
| InChI | InChI=1S/C46H63ClN8O12/c1-23(2)19-32-41(61)50-31-15-18-37(59)55(44(31)64)34(21-27-11-9-8-10-12-27)45(65)54(7)33(22-28-13-16-35(57)29(47)20-28)42(62)52-38(24(3)4)46(66)67-25(5)39(43(63)51-32)53-40(60)30(49-26(6)56)14-17-36(48)58/h8-13,16,20,23-25,30-34,37-39,57,59H,14-15,17-19,21-22H2,1-7H3,(H2,48,58)(H,49,56)(H,50,61)(H,51,63)(H,52,62)(H,53,60)/t25-,30+,31-,32-,33-,34-,37+,38-,39-/m0/s1 |
| InChIKey | JECPFNPTJNKMMN-VPAFXYKTSA-N |
| Mol Weight | 955.5 g/mol |
| Molecular Formula | C46H63ClN8O12 |
| Exact Mass | 954.425397 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 | GW149NQvUXc |
|---|---|
| Name | CYANOPEPTOLIN_954 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H63ClN8O12 |
| InChI | InChI=1S/C46H63ClN8O12/c1-23(2)19-32-41(61)50-31-15-18-37(59)55(44(31)64)34(21-27-11-9-8-10-12-27)45(65)54(7)33(22-28-13-16-35(57)29(47)20-28)42(62)52-38(24(3)4)46(66)67-25(5)39(43(63)51-32)53-40(60)30(49-26(6)56)14-17-36(48)58/h8-13,16,20,23-25,30-34,37-39,57,59H,14-15,17-19,21-22H2,1-7H3,(H2,48,58)(H,49,56)(H,50,61)(H,51,63)(H,52,62)(H,53,60)/t25-,30+,31-,32-,33-,34-,37+,38-,39-/m0/s1 |
| InChIKey | JECPFNPTJNKMMN-VPAFXYKTSA-N |
| Literature Reference Author | E.V.ELERT,L.OBERER,P.MERKEL,T.HUHN,J.F.BLOM |
| Literature Reference Citation | J.NAT.PROD.,68,1324(2005) |
| Literature Reference DOI | 10.1021/np050079r |
| Molecular Weight | 955.506 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ13364 |