| SpectraBase Compound ID | 80QuAk9KCyO |
|---|---|
| InChI | InChI=1S/C34H52O7/c1-20-11-16-34(28(37)38)18-17-31(6)23(27(34)33(20,8)39)9-10-25-29(4)14-13-26(41-22(3)36)30(5,19-40-21(2)35)24(29)12-15-32(25,31)7/h9,20,24-27,39H,10-19H2,1-8H3,(H,37,38)/t20-,24-,25-,26+,27-,29+,30+,31-,32-,33-,34+/m1/s1 |
| InChIKey | OWEFAQRLXAATCI-QFROITSKSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C34H52O7 |
| Exact Mass | 572.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4jEhihNVPD9 |
|---|---|
| Name | 19-ALPHA-HYDROXY-3-BETA,23-DIACETOXY-URS-12-EN-28-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O7 |
| InChI | InChI=1S/C34H52O7/c1-20-11-16-34(28(37)38)18-17-31(6)23(27(34)33(20,8)39)9-10-25-29(4)14-13-26(41-22(3)36)30(5,19-40-21(2)35)24(29)12-15-32(25,31)7/h9,20,24-27,39H,10-19H2,1-8H3,(H,37,38)/t20-,24-,25-,26+,27-,29+,30+,31-,32-,33-,34+/m1/s1 |
| InChIKey | OWEFAQRLXAATCI-QFROITSKSA-N |
| Literature Reference Author | Y.F.HE,M.L.NAN,J.M.SUN,Z.J.MENG,F.G.YUE,Q.C.ZHAO,X.H.YANG,H. WANG |
| Literature Reference Citation | MOLECULES,17,1278(2012) |
| Literature Reference DOI | 10.3390/molecules17021278 |
| Molecular Weight | 572.783 g/mol |
| Sample ID | 73097 |
| Solvent | C5D5N |