| SpectraBase Compound ID | 31TjEimmXVX |
|---|---|
| InChI | InChI=1S/C41H61N7O7/c1-7-26(6)34-38(52)43-29(23-27-14-9-8-10-15-27)40(54)47-20-11-17-31(47)36(50)44-33(25(4)5)41(55)48-21-13-16-30(48)35(49)42-28(22-24(2)3)39(53)46-19-12-18-32(46)37(51)45-34/h8-10,14-15,24-26,28-34H,7,11-13,16-23H2,1-6H3,(H,42,49)(H,43,52)(H,44,50)(H,45,51)/t26?,28-,29-,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | MRHPZOQSYDFOLJ-QSQGNRBVSA-N |
| Mol Weight | 764.0 g/mol |
| Molecular Formula | C41H61N7O7 |
| Exact Mass | 763.463247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2xBQl3nHuqX |
|---|---|
| Name | ROLLAMIDE_A;MAJOR_ISOMER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H61N7O7 |
| InChI | InChI=1S/C41H61N7O7/c1-7-26(6)34-38(52)43-29(23-27-14-9-8-10-15-27)40(54)47-20-11-17-31(47)36(50)44-33(25(4)5)41(55)48-21-13-16-30(48)35(49)42-28(22-24(2)3)39(53)46-19-12-18-32(46)37(51)45-34/h8-10,14-15,24-26,28-34H,7,11-13,16-23H2,1-6H3,(H,42,49)(H,43,52)(H,44,50)(H,45,51)/t26?,28-,29-,30-,31-,32-,33-,34-/m0/s1 |
| InChIKey | MRHPZOQSYDFOLJ-QSQGNRBVSA-N |
| Literature Reference Author | D.E.WILLIAMS,K.YU,H.W.BEHRISCH,R.VANSOEST,R.J.ANDERSEN |
| Literature Reference Citation | J.NAT.PROD.,72,1253(2009) |
| Literature Reference DOI | 10.1021/np900121m |
| Molecular Weight | 763.978 g/mol |
| Sample ID | 33163 |
| Solvent | C5D5N |