| SpectraBase Compound ID | Er71iKIK2Mb |
|---|---|
| InChI | InChI=1S/C41H66O12/c1-20-28(43)30(45)32(47)34(50-20)52-27-12-14-40(7)25(38(27,4)5)11-13-39(6)22-10-15-41(17-16-37(2,3)18-23(41)21(22)8-9-26(39)40)36(49)53-35-33(48)31(46)29(44)24(19-42)51-35/h20,23-35,42-48H,8-19H2,1-7H3/t20-,23?,24-,25?,26?,27+,28-,29-,30+,31+,32-,33-,34+,35+,39?,40?,41-/m1/s1 |
| InChIKey | CESLMJOIHBNCGO-NYYFZGDCSA-N |
| Mol Weight | 751.0 g/mol |
| Molecular Formula | C41H66O12 |
| Exact Mass | 750.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4wur2opDZ7X |
|---|---|
| Name | PYROCINCHOLIC-ACID-3-BETA-O-BETA-6-DEOXY-D-GLUCOPYRANOSIDE-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H66O12 |
| InChI | InChI=1S/C41H66O12/c1-20-28(43)30(45)32(47)34(50-20)52-27-12-14-40(7)25(38(27,4)5)11-13-39(6)22-10-15-41(17-16-37(2,3)18-23(41)21(22)8-9-26(39)40)36(49)53-35-33(48)31(46)29(44)24(19-42)51-35/h20,23-35,42-48H,8-19H2,1-7H3/t20-,23?,24-,25?,26?,27+,28-,29-,30+,31+,32-,33-,34+,35+,39?,40?,41-/m1/s1 |
| InChIKey | CESLMJOIHBNCGO-NYYFZGDCSA-N |
| Literature Reference Author | A.RUMBRERO-SANCHEZ,P.VAZQUEZ |
| Literature Reference Citation | PHYTOCHEM.,30,623(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83739-8 |
| Molecular Weight | 750.968 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI25354 |