| SpectraBase Compound ID | K5YD1huP8xB |
|---|---|
| InChI | InChI=1S/C39H60O16/c1-16(42)21-7-8-22-20-6-5-18-13-19(9-11-38(18,3)23(20)10-12-39(21,22)4)51-37-34(55-35-31(48)29(46)26(43)17(2)50-35)33(28(45)25(15-41)53-37)54-36-32(49)30(47)27(44)24(14-40)52-36/h5,7,17,19-20,22-37,40-41,43-49H,6,8-15H2,1-4H3/t17-,19-,20?,22?,23?,24+,25+,26-,27+,28+,29+,30-,31+,32+,33-,34+,35-,36-,37+,38-,39+/m0/s1 |
| InChIKey | VZYCYPQHUZOSIT-PROVWFLRSA-N |
| Mol Weight | 784.9 g/mol |
| Molecular Formula | C39H60O16 |
| Exact Mass | 784.388136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eQesw7KR4D |
|---|---|
| Name | PREGNADIENOLONE-3-O-BETA-GRACILLIMATRIOSE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O16 |
| InChI | InChI=1S/C39H60O16/c1-16(42)21-7-8-22-20-6-5-18-13-19(9-11-38(18,3)23(20)10-12-39(21,22)4)51-37-34(55-35-31(48)29(46)26(43)17(2)50-35)33(28(45)25(15-41)53-37)54-36-32(49)30(47)27(44)24(14-40)52-36/h5,7,17,19-20,22-37,40-41,43-49H,6,8-15H2,1-4H3/t17-,19-,20?,22?,23?,24+,25+,26-,27+,28+,29+,30-,31+,32+,33-,34+,35-,36-,37+,38-,39+/m0/s1 |
| InChIKey | VZYCYPQHUZOSIT-PROVWFLRSA-N |
| Literature Reference Author | M.DONG,X.FENG,L.WU,B.WANG,T.IKEJIMA |
| Literature Reference Citation | PLANTA.MED.,67,853(2001) |
| Literature Reference DOI | 10.1055/s-2001-18856 |
| Molecular Weight | 784.896 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP1640 |