| SpectraBase Compound ID | 8gzQV6RPqa2 |
|---|---|
| InChI | InChI=1S/C37H58O10/c1-32(2)14-16-37(31(43)44)17-15-35(5)20(21(37)18-32)8-9-23-33(3)12-11-24(34(4,19-38)22(33)10-13-36(23,35)6)46-30-27(41)25(39)26(40)28(47-30)29(42)45-7/h8,21-28,30,38-41H,9-19H2,1-7H3,(H,43,44)/t21-,22+,23+,24-,25-,26-,27+,28-,30+,33?,34+,35?,36?,37-/m0/s1 |
| InChIKey | NYWHIGQIORRJMF-XUEFPWBNSA-N |
| Mol Weight | 662.9 g/mol |
| Molecular Formula | C37H58O10 |
| Exact Mass | 662.402998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aTtNhe3gn6 |
|---|---|
| Name | HEDERAGENIN_3-O-BETA-D-GLUCURONOPYRANOSIDE-6'-O-METHYLESTER |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O10 |
| InChI | InChI=1S/C37H58O10/c1-32(2)14-16-37(31(43)44)17-15-35(5)20(21(37)18-32)8-9-23-33(3)12-11-24(34(4,19-38)22(33)10-13-36(23,35)6)46-30-27(41)25(39)26(40)28(47-30)29(42)45-7/h8,21-28,30,38-41H,9-19H2,1-7H3,(H,43,44)/t21-,22+,23+,24-,25-,26-,27+,28-,30+,33?,34+,35?,36?,37-/m0/s1 |
| InChIKey | NYWHIGQIORRJMF-XUEFPWBNSA-N |
| Literature Reference Author | M.HU,K.OGAWA,Y.SASHIDA,P.G.XIAO |
| Literature Reference Citation | PHYTOCHEM.,39,179(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00902-6 |
| Molecular Weight | 662.862 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8993 |