| SpectraBase Compound ID | 4X1Km78xFOY |
|---|---|
| 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+/m0/s1 |
| InChIKey | XWKVTZNWBFYSPF-FCNFYCOESA-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 | 1vEGDefunkQ |
|---|---|
| Name | 3beta,14beta-DIHYDROXY-21-METHOXY-5beta-PREGNAN-20-ONE-3-O-beta - D-DIGNOPYRANOSYL-(1-4)-O-beta-D-CYMAROPYRANOSYL-(1-4)-O-beta-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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+/m0/s1 |
| InChIKey | XWKVTZNWBFYSPF-FCNFYCOESA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |