| SpectraBase Compound ID | I0IUKRN2XQ |
|---|---|
| InChI | InChI=1S/C36H52O13/c1-29(2)15-35(44)36(45,49-29)34(8,43)26-19(48-35)12-31(5)21-10-9-16-17(33(21,7)22(38)13-32(26,31)6)11-18(27(42)30(16,3)4)46-28-25(41)24(40)23(39)20(14-37)47-28/h9,11,17,19-21,23-26,28,37,39-41,43-45H,10,12-15H2,1-8H3/t17-,19-,20+,21+,23+,24-,25+,26+,28+,31+,32-,33+,34-,35+,36+/m1/s1 |
| InChIKey | ANFGZMJFIDODOI-NWWREROKSA-N |
| Mol Weight | 692.8 g/mol |
| Molecular Formula | C36H52O13 |
| Exact Mass | 692.340792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6x3ZrfTZxDN |
|---|---|
| Name | (16-ALPHA,20-R,22-S,23-S)-16,23:22,25-DIEPOXY-2,20,22,23-TETRAHYDROXYCUCURBITA-1,5-DIENE-3,11-DIONE-2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O13 |
| InChI | InChI=1S/C36H52O13/c1-29(2)15-35(44)36(45,49-29)34(8,43)26-19(48-35)12-31(5)21-10-9-16-17(33(21,7)22(38)13-32(26,31)6)11-18(27(42)30(16,3)4)46-28-25(41)24(40)23(39)20(14-37)47-28/h9,11,17,19-21,23-26,28,37,39-41,43-45H,10,12-15H2,1-8H3/t17-,19-,20+,21+,23+,24-,25+,26+,28+,31+,32-,33+,34-,35+,36+/m1/s1 |
| InChIKey | ANFGZMJFIDODOI-NWWREROKSA-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 | 692.801 g/mol |
| Sample ID | 39555 |
| Solvent | DMSO-D6 |