| SpectraBase Compound ID | zTPlJn9blA |
|---|---|
| InChI | InChI=1S/C36H56O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,19,21-29,37,39-42H,8-18H2,1-6H3/t21?,22-,23?,24?,25+,26-,27+,28-,29+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | JGTHNRAJDIUMIQ-SAODHSAUSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C36H56O9 |
| Exact Mass | 632.392433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fzX1UjuuwS |
|---|---|
| Name | 28-O-GLUCOPYRANOSYL-GYPSOGENIN-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O9 |
| InChI | InChI=1S/C36H56O9/c1-31(2)13-15-36(30(43)45-29-28(42)27(41)26(40)22(18-37)44-29)16-14-34(5)20(21(36)17-31)7-8-24-32(3)11-10-25(39)33(4,19-38)23(32)9-12-35(24,34)6/h7,19,21-29,37,39-42H,8-18H2,1-6H3/t21?,22-,23?,24?,25+,26-,27+,28-,29+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | JGTHNRAJDIUMIQ-SAODHSAUSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 632.835 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1107 |