| SpectraBase Compound ID | AoCQWrE78Pr |
|---|---|
| InChI | InChI=1S/C44H46Br4N8O12S4/c45-29-15-23(1-3-37(29)57)19-33(53-65)41(61)49-5-9-69-71-11-7-51-43(63)35(55-67)21-25-13-27(39(59)31(47)17-25)28-14-26(18-32(48)40(28)60)22-36(56-68)44(64)52-8-12-72-70-10-6-50-42(62)34(54-66)20-24-2-4-38(58)30(46)16-24/h1-4,13-18,57-60,65-68H,5-12,19-22H2,(H,49,61)(H,50,62)(H,51,63)(H,52,64)/b53-33-,54-34-,55-35-,56-36- |
| InChIKey | VVFUCWCIWIOTJW-HGZUJJSDSA-N |
| Mol Weight | 1326.8 g/mol |
| Molecular Formula | C44H46Br4N8O12S4 |
| Exact Mass | 1321.885156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lVLeoZ2k4z |
|---|---|
| Name | BISAPRASIN |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H42Br4N8O12S4 |
| InChI | InChI=1S/C44H46Br4N8O12S4/c45-29-15-23(1-3-37(29)57)19-33(53-65)41(61)49-5-9-69-71-11-7-51-43(63)35(55-67)21-25-13-27(39(59)31(47)17-25)28-14-26(18-32(48)40(28)60)22-36(56-68)44(64)52-8-12-72-70-10-6-50-42(62)34(54-66)20-24-2-4-38(58)30(46)16-24/h1-4,13-18,57-60,65-68H,5-12,19-22H2,(H,49,61)(H,50,62)(H,51,63)(H,52,64)/b53-33-,54-34-,55-35-,56-36- |
| InChIKey | VVFUCWCIWIOTJW-HGZUJJSDSA-N |
| Literature Reference Author | Y.PARK,Y.LIU,J.HONG,C.O.LEE,H.CHO,D.K.KIM,K.S.IM,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,66,1495(2003) |
| Literature Reference DOI | 10.1021/np030162j |
| Molecular Weight | 1322.720 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP3109 |