| SpectraBase Compound ID | 5quFmbR4H85 |
|---|---|
| InChI | InChI=1S/C34H52O6/c1-19(2)22-12-17-34(29(37)38)27(40-21(4)36)18-33(9)23(28(22)34)10-11-25-31(7)15-14-26(39-20(3)35)30(5,6)24(31)13-16-32(25,33)8/h22-28H,1,10-18H2,2-9H3,(H,37,38)/t22-,23+,24-,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1 |
| InChIKey | SFKUEHZCBKPNEC-YDIKTAKISA-N |
| Mol Weight | 556.8 g/mol |
| Molecular Formula | C34H52O6 |
| Exact Mass | 556.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aONUQ9Ximy |
|---|---|
| Name | 3-BETA,16-BETA-DIACETOXY-BETULINIC-ACID |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O6 |
| InChI | InChI=1S/C34H52O6/c1-19(2)22-12-17-34(29(37)38)27(40-21(4)36)18-33(9)23(28(22)34)10-11-25-31(7)15-14-26(39-20(3)35)30(5,6)24(31)13-16-32(25,33)8/h22-28H,1,10-18H2,2-9H3,(H,37,38)/t22-,23+,24-,25+,26-,27-,28+,31-,32+,33+,34-/m0/s1 |
| InChIKey | SFKUEHZCBKPNEC-YDIKTAKISA-N |
| Literature Reference Author | L.M.A.MBAZE,H.M.P.POUMALE,J.D.WANSI,J.A.LADO,S.N.KHAN,M.C.IQ BAL,B.T.NGADJUI,H.LA |
| Literature Reference Citation | PHYTOCHEM.,68,591(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2006.12.015 |
| Molecular Weight | 556.783 g/mol |
| Sample ID | 62457 |
| Solvent | CDCl3 |