SpectraBase Compound ID | 7n215GCTV7T |
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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-SLRNOZSSSA-N |
Mol Weight | 781.0 g/mol |
Molecular Formula | C42H68O13 |
Exact Mass | 780.465992 g/mol |
SpectraBase Spectrum ID | AMIvxlyzTBe |
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Name | SAIKOSAPONIN-D |
Compound Number | 2 |
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-SLRNOZSSSA-N |
Literature Reference Author | K.YAMASAKI,R.KASAI,Y.MASAKI,M.OKIHARA,O.TANAKA,H.OSHIO,S.TAK AGI,M.YAMAKI,K.MASUD |
Literature Reference Citation | TETRAH.LETT.,18,1231(1977) |
Literature Reference DOI | 10.1016/S0040-4039(01)92983-1 |
Molecular Weight | 780.994 g/mol |
Solvent | PYRIDINE-D5 |
Source File Reference | UWCS11368 |