![GRAHAMINE_E;1-{[(3-ALPHA-MESACONYLOXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-ANGE](/api/spectrum/IJeVUV1d3sJ/structure.png?h=300&w=458 "GRAHAMINE_E;1-{[(3-ALPHA-MESACONYLOXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-ANGE")
| SpectraBase Compound ID | J7IO8RtHD2r |
|---|---|
| InChI | InChI=1S/C48H63N3O13/c1-8-24(2)44(56)62-36-19-29-17-32(23-35(36)51(29)7)61-45(57)41-40(26-12-10-9-11-13-26)42(48(41,4)47(59)64-38-18-27-15-30(52)21-33(38)49(27)5)46(58)63-37-20-28-16-31(22-34(37)50(28)6)60-39(53)14-25(3)43(54)55/h8-14,27-38,40-42,52H,15-23H2,1-7H3,(H,54,55)/b24-8-,25-14+/t27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,40+,41-,42+,48+/m0/s1 |
| InChIKey | JFDUSOBIQVQCGI-RQLIEAFESA-N |
| Mol Weight | 890.0 g/mol |
| Molecular Formula | C48H63N3O13 |
| Exact Mass | 889.436089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJeVUV1d3sJ |
|---|---|
| Name | GRAHAMINE_E;1-{[(3-ALPHA-MESACONYLOXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-ANGE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H63N3O13 |
| InChI | InChI=1S/C48H63N3O13/c1-8-24(2)44(56)62-36-19-29-17-32(23-35(36)51(29)7)61-45(57)41-40(26-12-10-9-11-13-26)42(48(41,4)47(59)64-38-18-27-15-30(52)21-33(38)49(27)5)46(58)63-37-20-28-16-31(22-34(37)50(28)6)60-39(53)14-25(3)43(54)55/h8-14,27-38,40-42,52H,15-23H2,1-7H3,(H,54,55)/b24-8-,25-14+/t27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37+,38+,40+,41-,42+,48+/m0/s1 |
| InChIKey | JFDUSOBIQVQCGI-RQLIEAFESA-N |
| Literature Reference Author | S.CRETTON,T.A.BARTHOLOMEUSZ,M.HUMAM,L.MARCOURT,Y.ALLENBACH,D .JEANNERAT,O.MUNOZ,P |
| Literature Reference Citation | J.NAT.PROD.,74,2388(2011) |
| Literature Reference DOI | 10.1021/np200450y |
| Molecular Weight | 890.041 g/mol |
| Sample ID | 39537 |
| Solvent | CD3OD |