| SpectraBase Compound ID | K0goIwhvK9l |
|---|---|
| InChI | InChI=1S/C46H74O17/c1-20(2)24-14-26(51)38-45(9)11-10-23-31(44(45,8)12-13-46(24,38)19-59-21(3)48)25(50)15-30-42(5,6)39(27(60-22(4)49)16-43(23,30)7)63-41-37(57)35(55)33(53)29(62-41)18-58-40-36(56)34(54)32(52)28(17-47)61-40/h10,20,24-41,47,50-57H,11-19H2,1-9H3/t24-,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,43+,44-,45+,46+/m0/s1 |
| InChIKey | AOBLQNHRIORKQD-OWMKJQNQSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C46H74O17 |
| Exact Mass | 898.492601 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SiXrKbCYs8 |
|---|---|
| Name | 2-ALPHA-ACETOXY-28-ACETYLRUBIARBOSIDE_G;2-ALPHA,28-DIACETOXY-3-BETA,7-BETA.19-ALPHA-TRIHYDROXYARBOR-9-(11)-EN-3-O- |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O17 |
| InChI | InChI=1S/C46H74O17/c1-20(2)24-14-26(51)38-45(9)11-10-23-31(44(45,8)12-13-46(24,38)19-59-21(3)48)25(50)15-30-42(5,6)39(27(60-22(4)49)16-43(23,30)7)63-41-37(57)35(55)33(53)29(62-41)18-58-40-36(56)34(54)32(52)28(17-47)61-40/h10,20,24-41,47,50-57H,11-19H2,1-9H3/t24-,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,43+,44-,45+,46+/m0/s1 |
| InChIKey | AOBLQNHRIORKQD-OWMKJQNQSA-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 | 899.083 g/mol |
| Sample ID | 39311 |
| Solvent | C5D5N |