| SpectraBase Compound ID | jFrBy5xndg |
|---|---|
| InChI | InChI=1S/C49H80O17/c1-22-30(52)32(54)36(58)41(61-22)65-38-33(55)31(53)25(21-50)62-42(38)66-39-35(57)34(56)37(40(59)60-10)64-43(39)63-29-14-15-47(7)26(45(29,4)5)13-16-49(9)27(47)12-11-23-24-19-44(2,3)20-28(51)46(24,6)17-18-48(23,49)8/h11,22,24-39,41-43,50-58H,12-21H2,1-10H3/t22-,24-,25+,26?,27?,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,41-,42-,43+,46+,47-,48+,49+/m0/s1 |
| InChIKey | NHDKIPQKDJYLTG-LVOUGMKMSA-N |
| Mol Weight | 941.2 g/mol |
| Molecular Formula | C49H80O17 |
| Exact Mass | 940.539551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExWy5cuIsc2 |
|---|---|
| Name | SOYASAPONINE-I-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H80O17 |
| InChI | InChI=1S/C49H80O17/c1-22-30(52)32(54)36(58)41(61-22)65-38-33(55)31(53)25(21-50)62-42(38)66-39-35(57)34(56)37(40(59)60-10)64-43(39)63-29-14-15-47(7)26(45(29,4)5)13-16-49(9)27(47)12-11-23-24-19-44(2,3)20-28(51)46(24,6)17-18-48(23,49)8/h11,22,24-39,41-43,50-58H,12-21H2,1-10H3/t22-,24-,25+,26?,27?,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+,38+,39+,41-,42-,43+,46+,47-,48+,49+/m0/s1 |
| InChIKey | NHDKIPQKDJYLTG-LVOUGMKMSA-N |
| Literature Reference Author | J.-E.KINJO,T.TAKESHITA,Y.ABE,N.TERADA,H.YAMASHITA,M.YAMASAKI ,K.TAKEUCHI,K.MURAKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,36,1174(1988) |
| Literature Reference DOI | 10.1248/cpb.36.1174 |
| Molecular Weight | 941.164 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK48 |