| SpectraBase Compound ID | 6MaxjvO3wW |
|---|---|
| InChI | InChI=1S/C42H72O15/c1-37(2,53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+/t20-,21+,22-,23-,24+,25?,26-,27?,28-,29+,30+,31-,32-,33+,34?,35-,36-,39+,40+,41+,42-/m0/s1 |
| InChIKey | HMCPMOZTKYWJSJ-MZJBIXSYSA-N |
| Mol Weight | 817.0 g/mol |
| Molecular Formula | C42H72O15 |
| Exact Mass | 816.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K46NtTVLXIV |
|---|---|
| Name | 6-O-BETA-D-GLUCOPYRANOSYL-20-O-BETA-D-GLUCOPYRANOSYL-3-BETA,6-ALPHA,12-BETA,20(S),25-PENTAHYDROXYDAMMAR-23-ENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O15 |
| InChI | InChI=1S/C42H72O15/c1-37(2,53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+/t20-,21+,22-,23-,24+,25?,26-,27?,28-,29+,30+,31-,32-,33+,34?,35-,36-,39+,40+,41+,42-/m0/s1 |
| InChIKey | HMCPMOZTKYWJSJ-MZJBIXSYSA-N |
| Literature Reference Author | W.G.MA,M.MIZUTANI,K.E.MALTERUD,S.L.LU,B.DUCREY,S.TAHARA |
| Literature Reference Citation | PHYTOCHEM.,52,1133(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00364-7 |
| Molecular Weight | 817.025 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN377 |