| SpectraBase Compound ID | 9H7jGShAFqD |
|---|---|
| InChI | InChI=1S/C42H70O14/c1-19(2)21-14-23(47)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-45)22(46)15-26-38(3,4)27(9-10-39(20,26)5)55-37-34(32(51)30(49)25(17-44)54-37)56-36-33(52)31(50)29(48)24(16-43)53-36/h8,19,21-37,43-52H,9-18H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,39+,40-,41+,42+/m0/s1 |
| InChIKey | DXTJWFNCSOUXFE-FFZXTACGSA-N |
| Mol Weight | 799.0 g/mol |
| Molecular Formula | C42H70O14 |
| Exact Mass | 798.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45rlL83jU70 |
|---|---|
| Name | RUBIARBONOL_A_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE;3-BETA,7-BETA,19-ALPHA,28-TETRAHYDROXYARBOR-9-(11)-EN |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H70O14 |
| InChI | InChI=1S/C42H70O14/c1-19(2)21-14-23(47)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-45)22(46)15-26-38(3,4)27(9-10-39(20,26)5)55-37-34(32(51)30(49)25(17-44)54-37)56-36-33(52)31(50)29(48)24(16-43)53-36/h8,19,21-37,43-52H,9-18H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36-,37-,39+,40-,41+,42+/m0/s1 |
| InChIKey | DXTJWFNCSOUXFE-FFZXTACGSA-N |
| Literature Reference Author | J.T.FAN,B.KUANG,G.Z.ZENG,S.M.ZENG,C.J.JI,Y.M.ZHANG,N.H.TAN |
| Literature Reference Citation | J.NAT.PROD.,74,2069(2011) |
| Literature Reference DOI | 10.1021/np2002918 |
| Molecular Weight | 799.009 g/mol |
| Sample ID | 39313 |
| Solvent | C5D5N |