| SpectraBase Compound ID | 2yI320FLcTn |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22-,23?,24?,25?,26?,27+,28?,29-,30+,31-,32?,33?,34+,35?,37+,38+,39-,40+,41-,42+/m1/s1 |
| InChIKey | KYWSCMDFVARMPN-ZYJCPDBJSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HQQBVRDeFN |
|---|---|
| Name | SAIKOSAPONIN-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-21-28(46)33(55-34-31(49)30(48)29(47)22(18-43)53-34)32(50)35(52-21)54-27-10-11-37(4)23(38(27,5)19-44)8-12-39(6)24(37)9-13-42-25-16-36(2,3)14-15-41(25,20-51-42)26(45)17-40(39,42)7/h9,13,21-35,43-50H,8,10-12,14-20H2,1-7H3/t21?,22-,23?,24?,25?,26?,27+,28?,29-,30+,31-,32?,33?,34+,35?,37+,38+,39-,40+,41-,42+/m1/s1 |
| InChIKey | KYWSCMDFVARMPN-ZYJCPDBJSA-N |
| Literature Reference Author | J.-K.DING,H.FUJINO,R.KASAI,N.FUJIMOTO,O.TANAKA,J.ZHOU,H.MATS UURA,T.FUWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,34,1158(1986) |
| Literature Reference DOI | 10.1248/cpb.34.1158 |
| Molecular Weight | 780.994 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK162 |