| SpectraBase Compound ID | BHAmLTosdg2 |
|---|---|
| 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-GXKIBXBBSA-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 | G2Vjwv6vmCy |
|---|---|
| Name | 3-BETA-HYDROXYPREGN-5,16-DIEN-20-ONE-3-O-BETA-CHACOTRIOSIDE |
| Compound Number | 2 |
| 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-GXKIBXBBSA-N |
| Literature Reference Author | V.U.AHMAD,S.M.KHALIQ-UZ-ZAMAN,S.SHAMEEL,S.PERVEEN,Z.ALI |
| Literature Reference Citation | PHYTOCHEM.,50,481(1999) |
| Literature Reference DOI | 10.1016/s0031-9422(98)00566-4 |
| Molecular Weight | 768.896 g/mol |
| Solvent | CD3OD |