| SpectraBase Compound ID | 9GuKPjO2hJx |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-12,18-22,25-30,37-38,41-46H,10,13-16H2,1-8H3/b12-11+/t18-,19-,20+,21+,22+,25+,26-,27+,28+,29+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | KHZCBNXYSLTLON-NIYRNRTLSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C36H56O12 |
| Exact Mass | 680.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDptYzMB63h |
|---|---|
| Name | 2-BETA-GLUCOPYRANOSYLOXY-3,16,20,25-TETRAHYDROXY-9-METHYL-19-NOR-LANOSTA-5,23-DIENE-11,22-DIONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-12,18-22,25-30,37-38,41-46H,10,13-16H2,1-8H3/b12-11+/t18-,19-,20+,21+,22+,25+,26-,27+,28+,29+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | KHZCBNXYSLTLON-NIYRNRTLSA-N |
| Literature Reference Author | H.STUPPNER,H.KAEHLIG,O.SELIGMANN,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,29,1633(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80136-5 |
| Molecular Weight | 680.833 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU32092 |