![GRAHAMINE_D;1,2-BIS-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-ANGELOYLOXY)-3-ALPHA-YL)-OXY]-CARBONYL}-4-PHENYLCYCLO](/api/spectrum/K17rubhCWpE/structure.png?h=300&w=458 "GRAHAMINE_D;1,2-BIS-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-ANGELOYLOXY)-3-ALPHA-YL)-OXY]-CARBONYL}-4-PHENYLCYCLO")
| SpectraBase Compound ID | C0Ov0cVRkfV |
|---|---|
| InChI | InChI=1S/C43H59N3O10/c1-7-22(2)39(49)54-34-18-26-15-29(21-32(34)46(26)6)53-40(50)37-36(23-11-9-8-10-12-23)38(41(51)55-33-16-24-13-27(47)19-30(33)44(24)4)43(37,3)42(52)56-35-17-25-14-28(48)20-31(35)45(25)5/h7-12,24-38,47-48H,13-21H2,1-6H3/b22-7-/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,43-/m1/s1 |
| InChIKey | BAWQSJNAIYVRIL-OKOPOKSTSA-N |
| Mol Weight | 778.0 g/mol |
| Molecular Formula | C43H59N3O10 |
| Exact Mass | 777.420045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K17rubhCWpE |
|---|---|
| Name | GRAHAMINE_D;1,2-BIS-{[(3-ALPHA-HYDROXYTROPO-6-BETA-YL)-OXY]-CARBONYL}-2-METHYL-3-{[((6-BETA-ANGELOYLOXY)-3-ALPHA-YL)-OXY]-CARBONYL}-4-PHENYLCYCLO |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H59N3O10 |
| InChI | InChI=1S/C43H59N3O10/c1-7-22(2)39(49)54-34-18-26-15-29(21-32(34)46(26)6)53-40(50)37-36(23-11-9-8-10-12-23)38(41(51)55-33-16-24-13-27(47)19-30(33)44(24)4)43(37,3)42(52)56-35-17-25-14-28(48)20-31(35)45(25)5/h7-12,24-38,47-48H,13-21H2,1-6H3/b22-7-/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34+,35-,36-,37+,38-,43-/m1/s1 |
| InChIKey | BAWQSJNAIYVRIL-OKOPOKSTSA-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 | 777.956 g/mol |
| Sample ID | 39536 |
| Solvent | CD3OD |