| SpectraBase Compound ID | CsL3wOAGLuf |
|---|---|
| InChI | InChI=1S/C43H72O13/c1-23-38(45)32(48-7)19-36(51-23)55-40-25(3)53-37(21-34(40)50-9)56-39-24(2)52-35(20-33(39)49-8)54-27-12-15-41(4)26(18-27)10-11-29-28(41)13-16-42(5)30(31(44)22-47-6)14-17-43(29,42)46/h23-30,32-40,45-46H,10-22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29?,30-,32-,33+,34-,35+,36+,37-,38+,39-,40+,41+,42-,43+/m1/s1 |
| InChIKey | XWKVTZNWBFYSPF-TYGZKYBBSA-N |
| Mol Weight | 797.0 g/mol |
| Molecular Formula | C43H72O13 |
| Exact Mass | 796.497292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KNcyUH2nZsy |
|---|---|
| Name | #1;3-BETA,14-BETA-DIHYDROXY-21-METHOXY-5-BETA-PREGNAN-20-ONE-3-O-BETA-D-DIGITOPYRANOSYL-(1->4)-O-BETA-D-CYMAROPYRANOSYL-(1->4)-O-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H72O13 |
| InChI | InChI=1S/C43H72O13/c1-23-38(45)32(48-7)19-36(51-23)55-40-25(3)53-37(21-34(40)50-9)56-39-24(2)52-35(20-33(39)49-8)54-27-12-15-41(4)26(18-27)10-11-29-28(41)13-16-42(5)30(31(44)22-47-6)14-17-43(29,42)46/h23-30,32-40,45-46H,10-22H2,1-9H3/t23-,24-,25+,26-,27+,28?,29?,30-,32-,33+,34-,35+,36+,37-,38+,39-,40+,41+,42-,43+/m1/s1 |
| InChIKey | XWKVTZNWBFYSPF-TYGZKYBBSA-N |
| Literature Reference Author | G.CABRERA,A.M.SELDES,E.G.GROS |
| Literature Reference Citation | PHYTOCHEM.,32,171(1993) |
| Literature Reference DOI | 10.1016/0031-9422(92)80126-Y |
| Molecular Weight | 797.037 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS3578 |