| SpectraBase Compound ID | yyqhYWForj |
|---|---|
| InChI | InChI=1S/C36H52O12/c1-16-24-20(47-35(43)15-30(2,3)48-36(16,35)44)12-32(6)22-10-9-17-18(34(22,8)23(38)13-33(24,32)7)11-19(28(42)31(17,4)5)45-29-27(41)26(40)25(39)21(14-37)46-29/h9,11,16,18,20-22,24-27,29,37,39-41,43-44H,10,12-15H2,1-8H3/t16-,18+,20+,21-,22-,24-,25-,26+,27-,29-,32-,33+,34-,35-,36-/m0/s1 |
| InChIKey | ACPPAFATSKFQFS-FSBPIFPOSA-N |
| Mol Weight | 676.8 g/mol |
| Molecular Formula | C36H52O12 |
| Exact Mass | 676.345877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDyZ2HeUJDs |
|---|---|
| Name | (16-ALPHA,20-S,22-S,23-S)-16,23:22,25-DIEPOXY-2,22,23-TRIHYDROXYCUCURBITA-1,5-DIENE-3,11-DIONE-2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O12 |
| InChI | InChI=1S/C36H52O12/c1-16-24-20(47-35(43)15-30(2,3)48-36(16,35)44)12-32(6)22-10-9-17-18(34(22,8)23(38)13-33(24,32)7)11-19(28(42)31(17,4)5)45-29-27(41)26(40)25(39)21(14-37)46-29/h9,11,16,18,20-22,24-27,29,37,39-41,43-44H,10,12-15H2,1-8H3/t16-,18+,20+,21-,22-,24-,25-,26+,27-,29-,32-,33+,34-,35-,36-/m0/s1 |
| InChIKey | ACPPAFATSKFQFS-FSBPIFPOSA-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 | 39554 |
| Solvent | DMSO-D6 |