| SpectraBase Compound ID | EUwqLqt3ieW |
|---|---|
| InChI | InChI=1S/C45H70O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h5,18-19,21-28,30-42,46-48,50-56H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44-,45-/m1/s1 |
| InChIKey | NEOHHRASNMHKJM-YUOPDRQXSA-N |
| Mol Weight | 915.0 g/mol |
| Molecular Formula | C45H70O19 |
| Exact Mass | 914.45113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H83lKrceN4g |
|---|---|
| Name | (25R)-PRATIOSIDE-D1;(25R)-SPIROSTAN-5-EN-12-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O19 |
| InChI | InChI=1S/C45H70O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-37(56)35(54)38(28(16-48)61-40)62-42-39(34(53)32(51)27(15-47)60-42)63-41-36(55)33(52)31(50)26(14-46)59-41/h5,18-19,21-28,30-42,46-48,50-56H,6-17H2,1-4H3/t18-,19+,21+,22-,23+,24+,25+,26-,27-,28-,30+,31-,32-,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44-,45-/m1/s1 |
| InChIKey | NEOHHRASNMHKJM-YUOPDRQXSA-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 | 915.039 g/mol |
| Sample ID | 1902 |
| Solvent | C5D5N |