| SpectraBase Compound ID | JC0CtS2nbRJ |
|---|---|
| InChI | InChI=1S/C52H91N7O13/c1-11-12-13-14-15-16-17-18-19-20-21-22-36-29-43(60)54-37(23-24-44(61)62)47(66)56-39(26-32(4)5)49(68)57-38(25-31(2)3)48(67)53-35(10)46(65)55-41(30-45(63)64)51(70)58-40(27-33(6)7)50(69)59-42(28-34(8)9)52(71)72-36/h31-42H,11-30H2,1-10H3,(H,53,67)(H,54,60)(H,55,65)(H,56,66)(H,57,68)(H,58,70)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | DBWQOVCXXYQRNR-PPIUSPOOSA-N |
| Mol Weight | 1022.3 g/mol |
| Molecular Formula | C52H91N7O13 |
| Exact Mass | 1021.667486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wJj7S23Azn |
|---|---|
| Name | DBWQOVCXXYQRNR-PPIUSPOOSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H91N7O13 |
| InChI | InChI=1S/C52H91N7O13/c1-11-12-13-14-15-16-17-18-19-20-21-22-36-29-43(60)54-37(23-24-44(61)62)47(66)56-39(26-32(4)5)49(68)57-38(25-31(2)3)48(67)53-35(10)46(65)55-41(30-45(63)64)51(70)58-40(27-33(6)7)50(69)59-42(28-34(8)9)52(71)72-36/h31-42H,11-30H2,1-10H3,(H,53,67)(H,54,60)(H,55,65)(H,56,66)(H,57,68)(H,58,70)(H,59,69)(H,61,62)(H,63,64)/t35-,36+,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | DBWQOVCXXYQRNR-PPIUSPOOSA-N |
| Literature Reference Author | A.ROMANO,D.VITULLO,A.DIPIETRO,G.LIMA,V.LANZOTTI |
| Literature Reference Citation | J.NAT.PROD.,74,145(2011) |
| Literature Reference DOI | 10.1021/np100408y |
| Molecular Weight | 1022.334 g/mol |
| Sample ID | 37586 |
| Solvent | CD3OD |