| SpectraBase Compound ID | 5sRM8eSMccO |
|---|---|
| InChI | InChI=1S/C39H56O6/c1-34(2)20-21-39(33(42)44-9)19-16-27-36(5)17-14-26-35(3,4)31(45-32(41)24-10-12-25(43-8)13-11-24)22-30(40)38(26,7)28(36)15-18-37(27,6)29(39)23-34/h10-13,16,26,28-31,40H,14-15,17-23H2,1-9H3/t26?,28?,29?,30-,31+,36+,37-,38+,39-/m1/s1 |
| InChIKey | CCQUXVSFGMBUGX-NPOIXGHHSA-N |
| Mol Weight | 620.9 g/mol |
| Molecular Formula | C39H56O6 |
| Exact Mass | 620.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmI6tgdNcwy |
|---|---|
| Name | METHYL-1-BETA-HYDROXYALEURITOLIC-ACID-3-PARA-METHOXYBENZOATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O6 |
| InChI | InChI=1S/C39H56O6/c1-34(2)20-21-39(33(42)44-9)19-16-27-36(5)17-14-26-35(3,4)31(45-32(41)24-10-12-25(43-8)13-11-24)22-30(40)38(26,7)28(36)15-18-37(27,6)29(39)23-34/h10-13,16,26,28-31,40H,14-15,17-23H2,1-9H3/t26?,28?,29?,30-,31+,36+,37-,38+,39-/m1/s1 |
| InChIKey | CCQUXVSFGMBUGX-NPOIXGHHSA-N |
| Literature Reference Author | S.K.CHAUDHURI,F.FULLAS,D.M.BROWN,M.C.WANI,M.E.WALL,L.CAI,W.M AR,S.K.LEE,Y.LUO,K.Z |
| Literature Reference Citation | J.NAT.PROD.,58,1(1995) |
| Literature Reference DOI | 10.1021/np50115a001 |
| Molecular Weight | 620.870 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP5465 |