![#7;PREGNA-5,16-DIENE-3-BETA-OL-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYR](/api/spectrum/HaESfAK1P2R/structure.png?h=300&w=458 "#7;PREGNA-5,16-DIENE-3-BETA-OL-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYR")
| SpectraBase Compound ID | 9vJtt1jXQhX |
|---|---|
| InChI | InChI=1S/C45H70O19/c1-17(47)24-9-10-25-23-8-7-21-15-22(11-13-44(21,5)26(23)12-14-45(24,25)6)60-43-38(33(53)30(50)27(16-46)61-43)64-42-39(63-41-35(55)32(52)29(49)19(3)58-41)36(56)37(20(4)59-42)62-40-34(54)31(51)28(48)18(2)57-40/h7,9,18-20,22-23,25-43,46,48-56H,8,10-16H2,1-6H3/t18-,19-,20-,22-,23-,25-,26-,27+,28-,29-,30+,31+,32+,33-,34+,35+,36+,37-,38+,39+,40-,41-,42-,43+,44-,45+/m0/s1 |
| InChIKey | OCENYSFQASDQBC-PWZYNWRESA-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 | HaESfAK1P2R |
|---|---|
| Name | #7;PREGNA-5,16-DIENE-3-BETA-OL-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O19 |
| InChI | InChI=1S/C45H70O19/c1-17(47)24-9-10-25-23-8-7-21-15-22(11-13-44(21,5)26(23)12-14-45(24,25)6)60-43-38(33(53)30(50)27(16-46)61-43)64-42-39(63-41-35(55)32(52)29(49)19(3)58-41)36(56)37(20(4)59-42)62-40-34(54)31(51)28(48)18(2)57-40/h7,9,18-20,22-23,25-43,46,48-56H,8,10-16H2,1-6H3/t18-,19-,20-,22-,23-,25-,26-,27+,28-,29-,30+,31+,32+,33-,34+,35+,36+,37-,38+,39+,40-,41-,42-,43+,44-,45+/m0/s1 |
| InChIKey | OCENYSFQASDQBC-PWZYNWRESA-N |
| Literature Reference Author | T.LIN,H.L.HUANG,R.H.LIU,J.C.SHU,G.REN,F.SHAO,L.S.LIU |
| Literature Reference Citation | MAGN.RES.CHEM.,50,813(2012) |
| Literature Reference DOI | 10.1002/mrc.3883 |
| Molecular Weight | 915.039 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU82414 |