| SpectraBase Compound ID | Az1ANqUjKKy |
|---|---|
| InChI | InChI=1S/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32?,33-,34?,35?,36-/m0/s1 |
| InChIKey | CCDRPBGPIXPGRW-YJXGEHTBSA-N |
| Mol Weight | 634.9 g/mol |
| Molecular Formula | C36H58O9 |
| Exact Mass | 634.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | sEZHRD8sqU |
|---|---|
| Name | HEDERAGENIN-3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O9 |
| InChI | InChI=1S/C36H58O9/c1-31(2)13-15-36(30(42)43)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(33(4,19-38)23(32)9-12-35(24,34)6)45-29-28(41)27(40)26(39)22(18-37)44-29/h7,21-29,37-41H,8-19H2,1-6H3,(H,42,43)/t21-,22+,23+,24+,25-,26+,27-,28+,29-,32?,33-,34?,35?,36-/m0/s1 |
| InChIKey | CCDRPBGPIXPGRW-YJXGEHTBSA-N |
| Literature Reference Author | W.J.KWAK,C.K.HAN,H.W.CHANG,H.P.KIM,S.S.KANG,K.H.SON |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,333(2003) |
| Literature Reference DOI | 10.1248/cpb.51.333 |
| Molecular Weight | 634.851 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21198 |