| SpectraBase Compound ID | 78QAJcxbiW |
|---|---|
| InChI | InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1 |
| InChIKey | NGPDQWFWZNXVLZ-AYGLBTBXSA-N |
| Mol Weight | 964.1 g/mol |
| Molecular Formula | C49H69N7O13 |
| Exact Mass | 963.495335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6O9hovjG16i |
|---|---|
| Name | CYANOPEPTOLIN-963-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H69N7O13 |
| InChI | InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1 |
| InChIKey | NGPDQWFWZNXVLZ-AYGLBTBXSA-N |
| Literature Reference Author | B.BISTER,S.KELLER,H.I.BAUMANN,G.NICHOLSON,S.WEIST,G.JUNG,R.D .SUESSMUTH,F.JUETTNE |
| Literature Reference Citation | J.NAT.PROD.,67,1755(2004) |
| Literature Reference DOI | 10.1021/np049828f |
| Molecular Weight | 964.126 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ6629 |