| SpectraBase Compound ID | A8BL4Q8mRbq |
|---|---|
| InChI | InChI=1S/C37H56O13/c1-32(2)17-10-11-22-34(5)14-19(39)29(37(8,47)23(40)13-25(48-9)33(3,4)46)35(34,6)15-24(41)36(22,7)18(17)12-20(30(32)45)49-31-28(44)27(43)26(42)21(16-38)50-31/h10,12,18-19,21-22,25-29,31,38-39,42-44,46-47H,11,13-16H2,1-9H3/t18-,19-,21+,22+,25-,26+,27-,28+,29+,31+,34+,35-,36+,37?/m1/s1 |
| InChIKey | VFYMEDSYUASGPF-SABSKCEYSA-N |
| Mol Weight | 708.8 g/mol |
| Molecular Formula | C37H56O13 |
| Exact Mass | 708.372092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52KbovXpvZn |
|---|---|
| Name | (16-ALPHA,20-R,24-S)-2,16,20,25-TETRAHYDROXY-24-METHOXYCUCURBITA-1,5-DIENE-3,11,22-TRIONE_2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H56O13 |
| InChI | InChI=1S/C37H56O13/c1-32(2)17-10-11-22-34(5)14-19(39)29(37(8,47)23(40)13-25(48-9)33(3,4)46)35(34,6)15-24(41)36(22,7)18(17)12-20(30(32)45)49-31-28(44)27(43)26(42)21(16-38)50-31/h10,12,18-19,21-22,25-29,31,38-39,42-44,46-47H,11,13-16H2,1-9H3/t18-,19-,21+,22+,25-,26+,27-,28+,29+,31+,34+,35-,36+,37?/m1/s1 |
| InChIKey | VFYMEDSYUASGPF-SABSKCEYSA-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 | 708.844 g/mol |
| Sample ID | 39559 |
| Solvent | DMSO-D6 |