| SpectraBase Compound ID | J7chgkpcw0y |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22+,23+,24+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PLMKQQMDOMTZGG-YRNJACMQSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEEG0EmkvYx |
|---|---|
| Name | 3-EPI-HEDERAGENIN-METHYLESTER |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,21-24,32-33H,9-19H2,1-7H3/t21-,22+,23+,24+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PLMKQQMDOMTZGG-YRNJACMQSA-N |
| Literature Reference Author | M.MIYAKOSHI,Y.IDA,S.ISODA,J.SHOJI |
| Literature Reference Citation | PHYTOCHEM.,33,891(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85298-6 |
| Molecular Weight | 486.736 g/mol |
| Solvent | C5D5N |