| SpectraBase Compound ID | BsaXX2cvZam |
|---|---|
| InChI | InChI=1S/C39H68N8O9S/c1-11-22(6)30-37(53)42-26(16-18-57(10)56)34(50)40-20-29(48)44-32(24(8)13-3)39(55)47-17-14-15-28(47)36(52)46-31(23(7)12-2)38(54)43-27(19-21(4)5)35(51)41-25(9)33(49)45-30/h21-28,30-32H,11-20H2,1-10H3,(H,40,50)(H,41,51)(H,42,53)(H,43,54)(H,44,48)(H,45,49)(H,46,52)/t22?,23?,24?,25-,26-,27-,28+,30-,31-,32-,57?/m0/s1 |
| InChIKey | OZPBDDOTSWYOTG-PXHSVYTASA-N |
| Mol Weight | 825.1 g/mol |
| Molecular Formula | C39H68N8O9S |
| Exact Mass | 824.482997 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIYiGd2EKE |
|---|---|
| Name | CHEVALIERIN_B;ISOMER-2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H68N8O9S |
| InChI | InChI=1S/C39H68N8O9S/c1-11-22(6)30-37(53)42-26(16-18-57(10)56)34(50)40-20-29(48)44-32(24(8)13-3)39(55)47-17-14-15-28(47)36(52)46-31(23(7)12-2)38(54)43-27(19-21(4)5)35(51)41-25(9)33(49)45-30/h21-28,30-32H,11-20H2,1-10H3,(H,40,50)(H,41,51)(H,42,53)(H,43,54)(H,44,48)(H,45,49)(H,46,52)/t22?,23?,24?,25-,26-,27-,28+,30-,31-,32-,57?/m0/s1 |
| InChIKey | OZPBDDOTSWYOTG-PXHSVYTASA-N |
| Literature Reference Author | C.BARAGUEY,C.AUVIN-GUETTE,A.BLOND,F.CAVELIER,F.LEZENVEN,J.L. POUSSET,B.BODO |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3033(1998) |
| Literature Reference DOI | 10.1039/a804003f |
| Molecular Weight | 825.077 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ6234 |