| SpectraBase Compound ID | 7Jw1sWUFd6g |
|---|---|
| InChI | InChI=1S/C58H88O21/c1-30-46(61)51(70-11)47(62)52(74-30)79-50-33(4)73-45(27-39(50)69-10)78-49-32(3)72-44(26-38(49)68-9)77-48-31(2)71-43(25-37(48)67-8)75-36-19-20-53(6)40-28-41(76-42(60)18-17-35-15-13-12-14-16-35)54(7)56(64,34(5)59)23-24-58(54,66)57(40,65)22-21-55(53,63)29-36/h12-18,21-22,30-34,36-41,43-52,59,61-66H,19-20,23-29H2,1-11H3/b18-17+/t30-,31+,32-,33+,34?,36-,37-,38+,39+,40?,41+,43-,44+,45-,46-,47-,48+,49-,50+,51-,52+,53+,54+,55+,56+,57-,58+/m0/s1 |
| InChIKey | BAJYNTZYDBKZHD-DRWSQAQKSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C58H88O21 |
| Exact Mass | 1120.58181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ADcttq0jKx |
|---|---|
| Name | GYMNEPREGOSIDE-D;#4;12-O-CINNAMOYL-(20S)-PREGN-6-ENE-3-BETA,5-ALPHA,8-BETA,12-BETA,14-BETA,17-BETA,20-HEPTOL-3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H88O21 |
| InChI | InChI=1S/C58H88O21/c1-30-46(61)51(70-11)47(62)52(74-30)79-50-33(4)73-45(27-39(50)69-10)78-49-32(3)72-44(26-38(49)68-9)77-48-31(2)71-43(25-37(48)67-8)75-36-19-20-53(6)40-28-41(76-42(60)18-17-35-15-13-12-14-16-35)54(7)56(64,34(5)59)23-24-58(54,66)57(40,65)22-21-55(53,63)29-36/h12-18,21-22,30-34,36-41,43-52,59,61-66H,19-20,23-29H2,1-11H3/b18-17+/t30-,31+,32-,33+,34?,36-,37-,38+,39+,40?,41+,43-,44+,45-,46-,47-,48+,49-,50+,51-,52+,53+,54+,55+,56+,57-,58+/m0/s1 |
| InChIKey | BAJYNTZYDBKZHD-DRWSQAQKSA-N |
| Literature Reference Author | K.YOSHIKAWA,K.MATSUCHIKA,S.ARIHARA,H.C.CHANG,J.D.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,1239(1998) |
| Literature Reference DOI | 10.1248/cpb.46.1239 |
| Molecular Weight | 1121.324 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS20371 |