![CARRIEBOWMIDE;CYCLO-[2-R,3-R-AMHA-L-ALA-N-ME-L-LEU-L-PHE-L-MET-(O)-N-ME-D-PHE-R-HMBA];DIASTEREOMER_1](/api/spectrum/19wVrwPRVJp/structure.png?h=300&w=458 "CARRIEBOWMIDE;CYCLO-[2-R,3-R-AMHA-L-ALA-N-ME-L-LEU-L-PHE-L-MET-(O)-N-ME-D-PHE-R-HMBA];DIASTEREOMER_1")
| SpectraBase Compound ID | HdapN1OaB13 |
|---|---|
| InChI | InChI=1S/C46H68N6O9S/c1-11-18-34-30(6)46(59)61-39(29(4)5)45(58)52(9)38(27-33-21-16-13-17-22-33)43(56)49-35(23-24-62(10)60)41(54)50-36(26-32-19-14-12-15-20-32)44(57)51(8)37(25-28(2)3)42(55)47-31(7)40(53)48-34/h12-17,19-22,28-31,34-39H,11,18,23-27H2,1-10H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)/t30-,31+,34-,35+,36+,37+,38-,39-,62?/m1/s1 |
| InChIKey | BWWQJPMOEXIEGF-AIOXIWPNSA-N |
| Mol Weight | 881.1 g/mol |
| Molecular Formula | C46H68N6O9S |
| Exact Mass | 880.476849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19wVrwPRVJp |
|---|---|
| Name | CARRIEBOWMIDE;CYCLO-[2-R,3-R-AMHA-L-ALA-N-ME-L-LEU-L-PHE-L-MET-(O)-N-ME-D-PHE-R-HMBA];DIASTEREOMER_1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H68N6O9S |
| InChI | InChI=1S/C46H68N6O9S/c1-11-18-34-30(6)46(59)61-39(29(4)5)45(58)52(9)38(27-33-21-16-13-17-22-33)43(56)49-35(23-24-62(10)60)41(54)50-36(26-32-19-14-12-15-20-32)44(57)51(8)37(25-28(2)3)42(55)47-31(7)40(53)48-34/h12-17,19-22,28-31,34-39H,11,18,23-27H2,1-10H3,(H,47,55)(H,48,53)(H,49,56)(H,50,54)/t30-,31+,34-,35+,36+,37+,38-,39-,62?/m1/s1 |
| InChIKey | BWWQJPMOEXIEGF-AIOXIWPNSA-N |
| Literature Reference Author | S.P.GUNASEKERA,R.RITSON-WILLIAMS,V.J.PAUL |
| Literature Reference Citation | J.NAT.PROD.,71,2060(2008) |
| Literature Reference DOI | 10.1021/np800453t |
| Molecular Weight | 881.141 g/mol |
| Sample ID | 29442 |
| Solvent | CD3OD |