| SpectraBase Compound ID | G2j0zqpa5fk |
|---|---|
| InChI | InChI=1S/C42H68O15/c1-19-28(47)30(49)32(51)35(54-19)57-33-31(50)29(48)23(18-43)55-36(33)56-27-13-11-21-20(38(27,4)5)10-12-24-39(6)16-22(44)34(40(39,7)17-26(46)41(21,24)8)42(9,53)25(45)14-15-37(2,3)52/h10,19,21-24,27-36,43-44,47-53H,11-18H2,1-9H3/t19-,21+,22+,23+,24-,27+,28-,29+,30+,31-,32+,33+,34-,35-,36-,39-,40+,41-,42?/m0/s1 |
| InChIKey | SMGHMIULJRIHCP-TWONWPPWSA-N |
| Mol Weight | 813.0 g/mol |
| Molecular Formula | C42H68O15 |
| Exact Mass | 812.455821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLcKW5kJCXj |
|---|---|
| Name | 16-ALPHA,20,25-TRIHYDROXY-3-ALPHA-(2-O-ALPHA-L-RHAMNOPYRANOSYL-BETA-D-GLUCOPYRANOSYLOXY)-(10-ALPHA)-CUCURBIT-5-ENE-11,22-DIONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O15 |
| InChI | InChI=1S/C42H68O15/c1-19-28(47)30(49)32(51)35(54-19)57-33-31(50)29(48)23(18-43)55-36(33)56-27-13-11-21-20(38(27,4)5)10-12-24-39(6)16-22(44)34(40(39,7)17-26(46)41(21,24)8)42(9,53)25(45)14-15-37(2,3)52/h10,19,21-24,27-36,43-44,47-53H,11-18H2,1-9H3/t19-,21+,22+,23+,24-,27+,28-,29+,30+,31-,32+,33+,34-,35-,36-,39-,40+,41-,42?/m0/s1 |
| InChIKey | SMGHMIULJRIHCP-TWONWPPWSA-N |
| Literature Reference Author | H.ACHENBACH,K.HORN,X.A.DOMINGUEZ,C.ROMBOLD,E.G.G.LOPEZ |
| Literature Reference Citation | PHYTOCHEM.,33,437(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85535-Y |
| Molecular Weight | 812.993 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6411 |