| SpectraBase Compound ID | Hj1ukat6QDY |
|---|---|
| InChI | InChI=1S/C49H78O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-27,29-39,41-43,50-51,53-59H,11-21H2,1-9H3/t22-,24-,25+,26+,27+,29-,30-,31-,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45?,46?,47+,48?,49?/m0/s1 |
| InChIKey | UAQSFFPZBWPNOO-BDULUXSISA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C49H78O18 |
| Exact Mass | 954.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2pRHhjKvwiA |
|---|---|
| Name | DEHYDROSOYASAPONIN-I-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O18 |
| InChI | InChI=1S/C49H78O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-27,29-39,41-43,50-51,53-59H,11-21H2,1-9H3/t22-,24-,25+,26+,27+,29-,30-,31-,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45?,46?,47+,48?,49?/m0/s1 |
| InChIKey | UAQSFFPZBWPNOO-BDULUXSISA-N |
| Literature Reference Author | M.SHIRAIWA,K.HARADA,K.OKUBO |
| Literature Reference Citation | AGR.BIOL.CHEM.,55,911(1991) |
| Literature Reference DOI | 10.1271/bbb1961.55.911 |
| Molecular Weight | 955.148 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT7731 |