| SpectraBase Compound ID | BHV7HP6RiGg |
|---|---|
| InChI | InChI=1S/C36H58O11/c1-31(2,44)14-13-23(39)36(8,45)29-20(38)15-33(5)22-11-9-18-19(35(22,7)24(40)16-34(29,33)6)10-12-25(32(18,3)4)47-30-28(43)27(42)26(41)21(17-37)46-30/h9,13-14,19-23,25-30,37-39,41-45H,10-12,15-17H2,1-8H3/b14-13+/t19-,20-,21-,22+,23+,25-,26-,27+,28-,29+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | XSDOOVLJGDIBHE-JMEADRGBSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C36H58O11 |
| Exact Mass | 666.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfoqglXJ4Hu |
|---|---|
| Name | (22S)-3-ALPHA-(BETA-D-GLUCOPYRANOSYLOXY)-16-ALPHA,20,22,25-TETRAHYDROXY-(10-ALPHA)-CUCURBITA-5,23T-DIEN-11-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O11 |
| InChI | InChI=1S/C36H58O11/c1-31(2,44)14-13-23(39)36(8,45)29-20(38)15-33(5)22-11-9-18-19(35(22,7)24(40)16-34(29,33)6)10-12-25(32(18,3)4)47-30-28(43)27(42)26(41)21(17-37)46-30/h9,13-14,19-23,25-30,37-39,41-45H,10-12,15-17H2,1-8H3/b14-13+/t19-,20-,21-,22+,23+,25-,26-,27+,28-,29+,30+,33+,34-,35+,36?/m1/s1 |
| InChIKey | XSDOOVLJGDIBHE-JMEADRGBSA-N |
| Literature Reference Author | H.ACHENBACH,K.HORN,X.A.DOMINGUEZ,C.ROMBOLD,E.G.G.LOPEZ |
| Literature Reference Citation | PHYTOCHEM.,33,437(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85535-Y |
| Molecular Weight | 666.850 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6412 |