![CYANOPEPTOLIN_1020;HEXANOIC_ACID-GLU-N-[-O-THR-ARG-AHP-PHE-N-ME-TYR-VAL-]](/api/spectrum/Rr4iNwvucV/structure.png?h=300&w=458 "CYANOPEPTOLIN_1020;HEXANOIC_ACID-GLU-N-[-O-THR-ARG-AHP-PHE-N-ME-TYR-VAL-]")
| SpectraBase Compound ID | Ddn2PrYgA22 |
|---|---|
| InChI | InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1 |
| InChIKey | NYXUAFLMUQAJPS-AYGLBTBXSA-N |
| Mol Weight | 1021.2 g/mol |
| Molecular Formula | C50H72N10O13 |
| Exact Mass | 1020.528032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Rr4iNwvucV |
|---|---|
| Name | CYANOPEPTOLIN_1020;HEXANOIC_ACID-GLU-N-[-O-THR-ARG-AHP-PHE-N-ME-TYR-VAL-] |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H72N10O13 |
| InChI | InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1 |
| InChIKey | NYXUAFLMUQAJPS-AYGLBTBXSA-N |
| Literature Reference Author | K.GADEMANN,C.PORTMANN,J.F.BLOM,M.ZEDER,F.JUETTNER |
| Literature Reference Citation | J.NAT.PROD.,73,980(2010) |
| Literature Reference DOI | 10.1021/np900818c |
| Molecular Weight | 1021.181 g/mol |
| Sample ID | 35600 |
| Solvent | DMSO-D6 |