| SpectraBase Compound ID | IsLSw4fHGGA |
|---|---|
| InChI | InChI=1S/C37H53NO13/c1-32(2)16-9-10-21-34(5)13-18(40)28(37(8,48)23(41)12-22-33(3,4)51-31(47)38-22)35(34,6)14-24(42)36(21,7)17(16)11-19(29(32)46)49-30-27(45)26(44)25(43)20(15-39)50-30/h9,11,17-18,20-22,25-28,30,39-40,43-45,48H,10,12-15H2,1-8H3,(H,38,47)/t17-,18-,20+,21+,22-,25+,26-,27+,28+,30+,34+,35-,36+,37+/m1/s1 |
| InChIKey | LSGLQIRVQKVXDL-SODDHRMGSA-N |
| Mol Weight | 719.8 g/mol |
| Molecular Formula | C37H53NO13 |
| Exact Mass | 719.351691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9MN7mVA0kRm |
|---|---|
| Name | (16-ALPHA,20-R,24-R)-24-N,25-CARBAMOYLOXY-2,16,20-TRIHYDROXYCUCURBITA-1,5-DIENE-3,11,22,TRIONE_2-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H53NO13 |
| InChI | InChI=1S/C37H53NO13/c1-32(2)16-9-10-21-34(5)13-18(40)28(37(8,48)23(41)12-22-33(3,4)51-31(47)38-22)35(34,6)14-24(42)36(21,7)17(16)11-19(29(32)46)49-30-27(45)26(44)25(43)20(15-39)50-30/h9,11,17-18,20-22,25-28,30,39-40,43-45,48H,10,12-15H2,1-8H3,(H,38,47)/t17-,18-,20+,21+,22-,25+,26-,27+,28+,30+,34+,35-,36+,37+/m1/s1 |
| InChIKey | LSGLQIRVQKVXDL-SODDHRMGSA-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 | 719.827 g/mol |
| Sample ID | 39557 |
| Solvent | DMSO-D6 |