![3-BETA-HYDROXYPREGNA-5,16-DIEN-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/ABfRDK4GbPo/structure.png?h=300&w=458 "3-BETA-HYDROXYPREGNA-5,16-DIEN-20-ONE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | HbUbI99J5BG |
|---|---|
| InChI | InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1 |
| InChIKey | OTJIOMRYLVVIJV-IZAVPGAWSA-N |
| Mol Weight | 768.9 g/mol |
| Molecular Formula | C39H60O15 |
| Exact Mass | 768.393221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABfRDK4GbPo |
|---|---|
| Name | PREGNA-5,16-DIEN-3-BETA-OL-20-ONE-O-ALPHA-L-RHANOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O15 |
| InChI | InChI=1S/C39H60O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,8,17-18,20-21,23-37,40,42-48H,7,9-15H2,1-5H3/t17-,18-,20-,21-,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1 |
| InChIKey | OTJIOMRYLVVIJV-IZAVPGAWSA-N |
| Literature Reference Author | X.HE,B.LIU,G.WANG,X.WANG,L.SU,G.QU,X.YAO |
| Literature Reference Citation | J.ST.BIO.MOL.BIOL.,100,87(2006) |
| Literature Reference DOI | 10.1016/j.jsbmb.2006.03.007 |
| Molecular Weight | 768.896 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT15084 |