| SpectraBase Compound ID | 8qjJlg70FqY |
|---|---|
| InChI | InChI=1S/C39H60O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h5,17-18,20-26,28-36,40-41,43-47H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-/m1/s1 |
| InChIKey | QMLSDFSTEVPHTD-RRGICTANSA-N |
| Mol Weight | 752.9 g/mol |
| Molecular Formula | C39H60O14 |
| Exact Mass | 752.398307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rJiY8pf1U2 |
|---|---|
| Name | (25R)-KINGIANOSIDE-A;(25R)-SPIROSTAN-5-EN-12-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O14 |
| InChI | InChI=1S/C39H60O14/c1-17-7-10-39(48-16-17)18(2)28-24(53-39)12-23-21-6-5-19-11-20(8-9-37(19,3)22(21)13-27(42)38(23,28)4)49-35-33(47)31(45)34(26(15-41)51-35)52-36-32(46)30(44)29(43)25(14-40)50-36/h5,17-18,20-26,28-36,40-41,43-47H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26-,28+,29-,30+,31-,32-,33-,34+,35-,36+,37+,38-,39-/m1/s1 |
| InChIKey | QMLSDFSTEVPHTD-RRGICTANSA-N |
| Literature Reference Author | H.S.YU,J.ZHANG,L.P.KANG,L.F.HAN,P.ZOU,Y.ZHAO,C.Q.XIONG,D.W.T AN,X.B.SONG,K.YU,B.P |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,1(2009) |
| Literature Reference DOI | 10.1248/cpb.57.1011 |
| Molecular Weight | 752.897 g/mol |
| Sample ID | 1904 |
| Solvent | C5D5N |