| SpectraBase Compound ID | 60ju2UbsYJT |
|---|---|
| InChI | InChI=1S/C37H60O12/c1-32(2)10-11-37(31(46)47-7)19(12-32)18-8-9-23-33(3)13-21(41)29(49-30-27(45)26(44)25(43)22(16-38)48-30)34(4,17-39)28(33)20(40)14-36(23,6)35(18,5)15-24(37)42/h8,19-30,38-45H,9-17H2,1-7H3/t19-,20+,21-,22+,23+,24+,25+,26-,27+,28+,29-,30-,33+,34-,35+,36+,37+/m0/s1 |
| InChIKey | ZCZWPPGKMVBJHI-RSQFRHAGSA-N |
| Mol Weight | 696.9 g/mol |
| Molecular Formula | C37H60O12 |
| Exact Mass | 696.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKrYnOmgMQU |
|---|---|
| Name | 3-O-BETA-D-GLUCOPYRANOSYL-2-BETA,3-BETA,6-BETA,16-ALPHA,23-PENTA-HYDROXYOLEAN-12-EN-28-OIC_ACID_METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H60O12 |
| InChI | InChI=1S/C37H60O12/c1-32(2)10-11-37(31(46)47-7)19(12-32)18-8-9-23-33(3)13-21(41)29(49-30-27(45)26(44)25(43)22(16-38)48-30)34(4,17-39)28(33)20(40)14-36(23,6)35(18,5)15-24(37)42/h8,19-30,38-45H,9-17H2,1-7H3/t19-,20+,21-,22+,23+,24+,25+,26-,27+,28+,29-,30-,33+,34-,35+,36+,37+/m0/s1 |
| InChIKey | ZCZWPPGKMVBJHI-RSQFRHAGSA-N |
| Literature Reference Author | P.GARIBOLDI,L.VEROTTA,B.GABETTA |
| Literature Reference Citation | PHYTOCHEM.,29,2629(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85201-P |
| Molecular Weight | 696.876 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21207 |