| SpectraBase Compound ID | HSLYOrE76M3 |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-31(2)17-8-9-22-32(3)13-19(39)28(35(6)11-10-24(48-35)34(5,45)16-38)33(32,4)14-23(40)36(22,7)18(17)12-20(29(31)44)46-30-27(43)26(42)25(41)21(15-37)47-30/h8,18-22,24-28,30,37-39,41-43,45H,9-16H2,1-7H3/t18-,19-,20+,21+,22+,24?,25+,26-,27+,28+,30+,32+,33-,34?,35?,36+/m1/s1 |
| InChIKey | YEBCXEIAFYZUEM-NJHCSEDGSA-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 | 83lZWK3FnGY |
|---|---|
| Name | (2-BETA,9-BETA,10-ALPHA,16-ALPHA,20-XI,24-XI)-20,24-EPOXY-2-(BETA-D-GLUCOPYRANOSYLOXY)-16,25,26-TRIHYDROXY-9-METHYL-19-NORLANOST-5-ENE-3,11-DIONE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-31(2)17-8-9-22-32(3)13-19(39)28(35(6)11-10-24(48-35)34(5,45)16-38)33(32,4)14-23(40)36(22,7)18(17)12-20(29(31)44)46-30-27(43)26(42)25(41)21(15-37)47-30/h8,18-22,24-28,30,37-39,41-43,45H,9-16H2,1-7H3/t18-,19-,20+,21+,22+,24?,25+,26-,27+,28+,30+,32+,33-,34?,35?,36+/m1/s1 |
| InChIKey | YEBCXEIAFYZUEM-NJHCSEDGSA-N |
| Literature Reference Author | H.STUPPNER,E.P.MUELLER |
| Literature Reference Citation | PHYTOCHEM.,33,1139(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85038-S |
| Molecular Weight | 680.833 g/mol |
| Solvent | CD3OD |