| SpectraBase Compound ID | LhsjUZPrdO |
|---|---|
| InChI | InChI=1S/C48H78O17/c1-21-29(51)31(53)35(57)40(60-21)64-37-32(54)30(52)24(20-49)61-41(37)65-38-34(56)33(55)36(39(58)59)63-42(38)62-28-13-14-46(7)25(44(28,4)5)12-15-48(9)26(46)11-10-22-23-18-43(2,3)19-27(50)45(23,6)16-17-47(22,48)8/h10,21,23-38,40-42,49-57H,11-20H2,1-9H3,(H,58,59)/t21-,23-,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,45+,46-,47+,48+/m0/s1 |
| InChIKey | ISTWCKNDZOSMPU-XZQJKBCMSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C48H78O17 |
| Exact Mass | 926.523901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbIl0q3EvyX |
|---|---|
| Name | KAIKASAPONIN-III |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O17 |
| InChI | InChI=1S/C48H78O17/c1-21-29(51)31(53)35(57)40(60-21)64-37-32(54)30(52)24(20-49)61-41(37)65-38-34(56)33(55)36(39(58)59)63-42(38)62-28-13-14-46(7)25(44(28,4)5)12-15-48(9)26(46)11-10-22-23-18-43(2,3)19-27(50)45(23,6)16-17-47(22,48)8/h10,21,23-38,40-42,49-57H,11-20H2,1-9H3,(H,58,59)/t21-,23-,24+,25?,26?,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,45+,46-,47+,48+/m0/s1 |
| InChIKey | ISTWCKNDZOSMPU-XZQJKBCMSA-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 | 927.137 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK47 |