| SpectraBase Compound ID | IiFnnQQLZCt |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-31(2)17-9-10-22-33(5)14-19(38)28(35(7)12-11-24(47-35)32(3,4)44)34(33,6)15-23(39)36(22,8)18(17)13-20(29(31)43)45-30-27(42)26(41)25(40)21(16-37)46-30/h9,18-22,24-28,30,37-38,40-42,44H,10-16H2,1-8H3/t18-,19-,20+,21+,22+,24?,25+,26-,27+,28+,30+,33+,34-,35?,36+/m1/s1 |
| InChIKey | BWLJNNFSQWDPOQ-ZTKHTOFBSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ENr37kib95F |
|---|---|
| Name | (2-BETA,9-BETA,10-ALPHA,16-ALPHA,20-XI,24-XI)-20,24-EPOXY-2-(BETA-D-GLUCOPYRANOSYLOXY)-16,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-ENE-3,11-DIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-31(2)17-9-10-22-33(5)14-19(38)28(35(7)12-11-24(47-35)32(3,4)44)34(33,6)15-23(39)36(22,8)18(17)13-20(29(31)43)45-30-27(42)26(41)25(40)21(16-37)46-30/h9,18-22,24-28,30,37-38,40-42,44H,10-16H2,1-8H3/t18-,19-,20+,21+,22+,24?,25+,26-,27+,28+,30+,33+,34-,35?,36+/m1/s1 |
| InChIKey | BWLJNNFSQWDPOQ-ZTKHTOFBSA-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 | 664.834 g/mol |
| Solvent | CD3OD |