| SpectraBase Compound ID | AkkpvxSvH76 |
|---|---|
| InChI | InChI=1S/C44H62O10/c1-21-25-16-27(31-40(9)14-11-13-38(5,6)29(40)12-15-42(31,18-25)33(21)47)52-37-43-19-26(22(2)34(43)48)17-30-44(43,54-30)41(10)32(36(49)53-37)39(7,8)20-28(50-23(3)45)35(41)51-24(4)46/h22,25-32,35-37,49H,1,11-20H2,2-10H3/t22-,25+,26-,27-,28+,29+,30-,31?,32-,35+,36-,37-,40+,41+,42+,43+,44+/m1/s1 |
| InChIKey | HJZKIIZGWSZZFE-BNYUFFALSA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C44H62O10 |
| Exact Mass | 750.434298 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42gIxPlVQbY |
|---|---|
| Name | EXSERTIFOLIN-A;BIS-6,7-SECO-ENT-1-BETA,2-BETA-DIACETOXY-9-BETA,11-BETA-EPOXY-6-ALPHA-HYDROXY-16-ALPHA-KAURAN-15-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H62O10 |
| InChI | InChI=1S/C44H62O10/c1-21-25-16-27(31-40(9)14-11-13-38(5,6)29(40)12-15-42(31,18-25)33(21)47)52-37-43-19-26(22(2)34(43)48)17-30-44(43,54-30)41(10)32(36(49)53-37)39(7,8)20-28(50-23(3)45)35(41)51-24(4)46/h22,25-32,35-37,49H,1,11-20H2,2-10H3/t22-,25+,26-,27-,28+,29+,30-,31?,32-,35+,36-,37-,40+,41+,42+,43+,44+/m1/s1 |
| InChIKey | HJZKIIZGWSZZFE-BNYUFFALSA-N |
| Literature Reference Author | F.NAGASHIMA,H.TANAKA,S.TAKAOKA,Y.ASAKAWA |
| Literature Reference Citation | PHYTOCHEM.,41,1129(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00755-5 |
| Molecular Weight | 750.970 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4260 |