| SpectraBase Compound ID | 5p5Ir5M6iHX |
|---|---|
| InChI | InChI=1S/C36H52O12/c1-31(2)16-9-10-21-33(5)13-19-28(36(8,45)22(38)12-24(46-19)32(3,4)44)34(33,6)14-23(39)35(21,7)17(16)11-18(29(31)43)47-30-27(42)26(41)25(40)20(15-37)48-30/h9,11,17,19-21,24-28,30,37,40-42,44-45H,10,12-15H2,1-8H3/t17-,19-,20+,21+,24+,25+,26-,27+,28+,30+,33+,34-,35+,36+/m1/s1 |
| InChIKey | IWNXFVRPEIWIJJ-HVOKDXTKSA-N |
| Mol Weight | 676.8 g/mol |
| Molecular Formula | C36H52O12 |
| Exact Mass | 676.345877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H4KJX3ByUlE |
|---|---|
| Name | (16-ALPHA,20-R,24-S)-16,24-EPOXY-2,20,25-TRIHYDROXYCUCURBITA-1,5-DIENE-3,11,22-TRIONE-2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O12 |
| InChI | InChI=1S/C36H52O12/c1-31(2)16-9-10-21-33(5)13-19-28(36(8,45)22(38)12-24(46-19)32(3,4)44)34(33,6)14-23(39)35(21,7)17(16)11-18(29(31)43)47-30-27(42)26(41)25(40)20(15-37)48-30/h9,11,17,19-21,24-28,30,37,40-42,44-45H,10,12-15H2,1-8H3/t17-,19-,20+,21+,24+,25+,26-,27+,28+,30+,33+,34-,35+,36+/m1/s1 |
| InChIKey | IWNXFVRPEIWIJJ-HVOKDXTKSA-N |
| Literature Reference Author | M.GAN,M.LIU,B.LIU,S.LIN,Y.ZHANG,J.ZI,W.SONG,F.YE,X.CHEN,J.SH I |
| Literature Reference Citation | J.NAT.PROD.,74,2431(2011) |
| Literature Reference DOI | 10.1021/np200706n |
| Molecular Weight | 676.802 g/mol |
| Sample ID | 39556 |
| Solvent | DMSO-D6 |