| SpectraBase Compound ID | JcKnuAi6kDX |
|---|---|
| InChI | InChI=1S/C38H64O13/c1-17(2)6-9-28(49-36-34(30(44)27(43)16-48-36)51-35-33(47)32(46)31(45)29(15-39)50-35)18(3)20-7-8-21-19-12-24(40)23-13-25(41)26(42)14-38(23,5)22(19)10-11-37(20,21)4/h17-23,25-36,39,41-47H,6-16H2,1-5H3/t18-,19-,20+,21-,22-,23-,25+,26+,27-,28+,29+,30-,31+,32-,33+,34+,35-,36-,37+,38+/m0/s1 |
| InChIKey | CVFOCYVQSJZYEG-AREVOKJMSA-N |
| Mol Weight | 728.9 g/mol |
| Molecular Formula | C38H64O13 |
| Exact Mass | 728.434692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64zhDGkeA4o |
|---|---|
| Name | ALPHA-ECDYSONE;2-ALPHA,3-BETA-(22R)-TRIHYDROXY-CHOLESTAN-6-ONE-22-O-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H64O13 |
| InChI | InChI=1S/C38H64O13/c1-17(2)6-9-28(49-36-34(30(44)27(43)16-48-36)51-35-33(47)32(46)31(45)29(15-39)50-35)18(3)20-7-8-21-19-12-24(40)23-13-25(41)26(42)14-38(23,5)22(19)10-11-37(20,21)4/h17-23,25-36,39,41-47H,6-16H2,1-5H3/t18-,19-,20+,21-,22-,23-,25+,26+,27-,28+,29+,30-,31+,32-,33+,34+,35-,36-,37+,38+/m0/s1 |
| InChIKey | CVFOCYVQSJZYEG-AREVOKJMSA-N |
| Literature Reference Author | Y.H.CHOI,J.KIM,Y.H.CHOI |
| Literature Reference Citation | PHYTOCHEM.,51,453(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00056-4 |
| Molecular Weight | 728.918 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC335 |