| SpectraBase Compound ID | A9A2ARIFVIC |
|---|---|
| InChI | InChI=1S/C42H66O13/c1-20(2)25-15-27(47)35-41(10)12-11-24-31(40(41,9)13-14-42(25,35)19-52-22(4)44)26(46)16-30-38(6,7)36(28(53-23(5)45)17-39(24,30)8)55-37-34(50)33(49)32(48)29(54-37)18-51-21(3)43/h11,20,25-37,46-50H,12-19H2,1-10H3/t25-,26-,27+,28+,29+,30-,31-,32+,33-,34+,35+,36-,37-,39+,40-,41+,42+/m0/s1 |
| InChIKey | MIOBGTKJTCKTTC-XADNGMGVSA-N |
| Mol Weight | 779.0 g/mol |
| Molecular Formula | C42H66O13 |
| Exact Mass | 778.450342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ylrgrnF7Rs |
|---|---|
| Name | RUBIANOL_E_3-O-(6'-O-ACETYL)-BETA-D-GLUCOPYRANOSIDE;2-ALPHA,28-DIACETOXY-3-BETA,7-BETA,19-ALPHA-TRIHYDROXYARBOR-9-(11)-EN-3-O- |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O13 |
| InChI | InChI=1S/C42H66O13/c1-20(2)25-15-27(47)35-41(10)12-11-24-31(40(41,9)13-14-42(25,35)19-52-22(4)44)26(46)16-30-38(6,7)36(28(53-23(5)45)17-39(24,30)8)55-37-34(50)33(49)32(48)29(54-37)18-51-21(3)43/h11,20,25-37,46-50H,12-19H2,1-10H3/t25-,26-,27+,28+,29+,30-,31-,32+,33-,34+,35+,36-,37-,39+,40-,41+,42+/m0/s1 |
| InChIKey | MIOBGTKJTCKTTC-XADNGMGVSA-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 | 778.978 g/mol |
| Sample ID | 39309 |
| Solvent | C5D5N |