![PREGNA-5,16-DIENE-3-BETA-OL-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/93upE2Y9cHC/structure.png?h=300&w=458 "PREGNA-5,16-DIENE-3-BETA-OL-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | GUGTioa0cRU |
|---|---|
| InChI | InChI=1S/C39H60O14/c1-16(40)23-9-10-24-22-8-7-20-15-21(11-13-38(20,5)25(22)12-14-39(23,24)6)51-37-34(53-36-31(46)29(44)27(42)18(3)49-36)32(47)33(19(4)50-37)52-35-30(45)28(43)26(41)17(2)48-35/h7,9,17-19,21-22,24-37,41-47H,8,10-15H2,1-6H3/t17-,18-,19-,21-,22-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37-,38-,39+/m0/s1 |
| InChIKey | GIVOVMJUFVIXPL-JRCXZWCYSA-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 | 93upE2Y9cHC |
|---|---|
| Name | PREGNA-5,16-DIENE-3-BETA-OL-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O14 |
| InChI | InChI=1S/C39H60O14/c1-16(40)23-9-10-24-22-8-7-20-15-21(11-13-38(20,5)25(22)12-14-39(23,24)6)51-37-34(53-36-31(46)29(44)27(42)18(3)49-36)32(47)33(19(4)50-37)52-35-30(45)28(43)26(41)17(2)48-35/h7,9,17-19,21-22,24-37,41-47H,8,10-15H2,1-6H3/t17-,18-,19-,21-,22-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34+,35-,36-,37-,38-,39+/m0/s1 |
| InChIKey | GIVOVMJUFVIXPL-JRCXZWCYSA-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 | 752.897 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU82415 |