| SpectraBase Compound ID | 5oyPSDOXr7Q |
|---|---|
| InChI | InChI=1S/C44H46Br4N8O12S4/c45-28-15-24(1-4-36(28)57)19-32(53-64)41(60)49-7-11-69-70-13-9-51-43(62)34(55-66)21-26-3-6-38(30(47)17-26)68-39-23-27(18-31(48)40(39)59)22-35(56-67)44(63)52-10-14-72-71-12-8-50-42(61)33(54-65)20-25-2-5-37(58)29(46)16-25/h1-6,15-18,23,57-59,64-67H,7-14,19-22H2,(H,49,60)(H,50,61)(H,51,62)(H,52,63)/b53-32-,54-33-,55-34-,56-35- |
| InChIKey | PHUBBXZZBWPBDO-OXUNPUDGSA-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 | 8kP5OeG9wKW |
|---|---|
| Name | BISPSAMMAPLIN-A |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H42Br4N8O12S4 |
| InChI | InChI=1S/C44H46Br4N8O12S4/c45-28-15-24(1-4-36(28)57)19-32(53-64)41(60)49-7-11-69-70-13-9-51-43(62)34(55-66)21-26-3-6-38(30(47)17-26)68-39-23-27(18-31(48)40(39)59)22-35(56-67)44(63)52-10-14-72-71-12-8-50-42(61)33(54-65)20-25-2-5-37(58)29(46)16-25/h1-6,15-18,23,57-59,64-67H,7-14,19-22H2,(H,49,60)(H,50,61)(H,51,62)(H,52,63)/b53-32-,54-33-,55-34-,56-35- |
| InChIKey | PHUBBXZZBWPBDO-OXUNPUDGSA-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 | UWKP3108 |