| SpectraBase Compound ID | 8Fsa99HtSE3 |
|---|---|
| InChI | InChI=1S/C46H76O23/c1-18-38(69-42-36(58)33(55)30(52)27(68-42)17-63-41-35(57)32(54)29(51)26(15-48)67-41)39(61-4)37(59)43(64-18)65-20-7-10-44(2)19(13-20)5-6-22-21(44)8-11-45(3)23(9-12-46(22,45)60)24(49)16-62-40-34(56)31(53)28(50)25(14-47)66-40/h18-23,25-43,47-48,50-60H,5-17H2,1-4H3/t18-,19+,20-,21-,22+,23+,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38-,39-,40+,41-,42+,43-,44-,45+,46-/m0/s1 |
| InChIKey | BSDLPNWWMRSOHO-OAOWVQHHSA-N |
| Mol Weight | 997.1 g/mol |
| Molecular Formula | C46H76O23 |
| Exact Mass | 996.477739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AgLHfKgwsI9 |
|---|---|
| Name | 21-O-BETA-D-GLUCOPYRANOSYL-3-BETA,14,21-TRIHYDROXY-5-BETA,14-BETA-PREGNAN-20-ONE-3-O-BETA-GENTIOBIOSYL-(1->4)-ALPHA-L-ACOFRIOSIDE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H76O23 |
| InChI | InChI=1S/C46H76O23/c1-18-38(69-42-36(58)33(55)30(52)27(68-42)17-63-41-35(57)32(54)29(51)26(15-48)67-41)39(61-4)37(59)43(64-18)65-20-7-10-44(2)19(13-20)5-6-22-21(44)8-11-45(3)23(9-12-46(22,45)60)24(49)16-62-40-34(56)31(53)28(50)25(14-47)66-40/h18-23,25-43,47-48,50-60H,5-17H2,1-4H3/t18-,19+,20-,21-,22+,23+,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38-,39-,40+,41-,42+,43-,44-,45+,46-/m0/s1 |
| InChIKey | BSDLPNWWMRSOHO-OAOWVQHHSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI,S.YAHARA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,37,1429(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90426-6 |
| Molecular Weight | 997.096 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS23616 |