![3-BETA-O-[-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-DIGINOPYRANOSYL]-16-BETA-ACETOXY-14-HYDROXY-5-BETA,14-BETA-CARD-20(22)-ENOLIDE](/api/spectrum/2P7uQsJ0J3r/structure.png?h=300&w=458 "3-BETA-O-[-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-DIGINOPYRANOSYL]-16-BETA-ACETOXY-14-HYDROXY-5-BETA,14-BETA-CARD-20(22)-ENOLIDE")
| SpectraBase Compound ID | 5qpmUhd4LdA |
|---|---|
| InChI | InChI=1S/C38H58O14/c1-18-34(52-35-33(44)32(43)31(42)27(16-39)51-35)25(46-5)14-29(48-18)50-22-8-10-36(3)21(13-22)6-7-24-23(36)9-11-37(4)30(20-12-28(41)47-17-20)26(49-19(2)40)15-38(24,37)45/h12,18,21-27,29-35,39,42-45H,6-11,13-17H2,1-5H3/t18-,21-,22+,23+,24-,25-,26+,27+,29+,30+,31+,32-,33+,34+,35-,36?,37?,38+/m1/s1 |
| InChIKey | ITYAEKHTQKSNBZ-ZQCUJTJYSA-N |
| Mol Weight | 738.9 g/mol |
| Molecular Formula | C38H58O14 |
| Exact Mass | 738.382657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2P7uQsJ0J3r |
|---|---|
| Name | 3-BETA-O-[-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-DIGINOPYRANOSYL]-16-BETA-ACETOXY-14-HYDROXY-5-BETA,14-BETA-CARD-20(22)-ENOLIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O14 |
| InChI | InChI=1S/C38H58O14/c1-18-34(52-35-33(44)32(43)31(42)27(16-39)51-35)25(46-5)14-29(48-18)50-22-8-10-36(3)21(13-22)6-7-24-23(36)9-11-37(4)30(20-12-28(41)47-17-20)26(49-19(2)40)15-38(24,37)45/h12,18,21-27,29-35,39,42-45H,6-11,13-17H2,1-5H3/t18-,21-,22+,23+,24-,25-,26+,27+,29+,30+,31+,32-,33+,34+,35-,36?,37?,38+/m1/s1 |
| InChIKey | ITYAEKHTQKSNBZ-ZQCUJTJYSA-N |
| Literature Reference Author | M.ZHAO,L.BAI,A.TOKI,R.HASEGAWA,J.I.SAKAI,T.HASEGAWA,H.OGURA, T.KATAOKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,371(2011) |
| Literature Reference DOI | 10.1248/cpb.59.371 |
| Molecular Weight | 738.870 g/mol |
| Sample ID | 2779 |
| Solvent | C5D5N |