| SpectraBase Compound ID | JLqLcRRlgN7 |
|---|---|
| InChI | InChI=1S/C36H60O10/c1-18(8-9-23(40)32(4,5)44)25-20(39)15-34(7)22-14-19(38)29-31(2,3)24(46-30-28(43)27(42)26(41)21(16-37)45-30)10-11-36(29)17-35(22,36)13-12-33(25,34)6/h18,20-30,37,39-44H,8-17H2,1-7H3/t18-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29+,30+,33-,34+,35+,36-/m1/s1 |
| InChIKey | MYKSQUJGCGSQGE-OFLILFQYSA-N |
| Mol Weight | 652.9 g/mol |
| Molecular Formula | C36H60O10 |
| Exact Mass | 652.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Idwxlc6cGoC |
|---|---|
| Name | HUANGQIYENIN-B;3-O-BETA-D-GLUCOPYRANOSYL-(24S)-16-BETA,24,25-TRIHYDROXY-CYCLOLANOST-6-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60O10 |
| InChI | InChI=1S/C36H60O10/c1-18(8-9-23(40)32(4,5)44)25-20(39)15-34(7)22-14-19(38)29-31(2,3)24(46-30-28(43)27(42)26(41)21(16-37)45-30)10-11-36(29)17-35(22,36)13-12-33(25,34)6/h18,20-30,37,39-44H,8-17H2,1-7H3/t18-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29+,30+,33-,34+,35+,36-/m1/s1 |
| InChIKey | MYKSQUJGCGSQGE-OFLILFQYSA-N |
| Literature Reference Author | Y.MA,Z.TIAN,H.KUANG,C.YUAN,C.SHAO,K.OHTANI,R.KASAI,O.TANAKA, Y.OKADA,T.OKUYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,359(1997) |
| Literature Reference DOI | 10.1248/cpb.45.359 |
| Molecular Weight | 652.866 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28723 |