| SpectraBase Compound ID | 11dM18gFULH |
|---|---|
| InChI | InChI=1S/C39H56O6/c1-23(2)25-14-19-39(34(42)45-27-12-10-24(33(41)44-9)22-28(27)43-8)21-20-37(6)26(32(25)39)11-13-30-36(5)17-16-31(40)35(3,4)29(36)15-18-38(30,37)7/h10,12,22,25-26,29-32,40H,1,11,13-21H2,2-9H3/t25-,26+,29-,30+,31-,32-,36-,37+,38+,39-/m0/s1 |
| InChIKey | VAOWMWFEZLPVAY-KAWAQDAVSA-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 | etVGMkfnYc |
|---|---|
| Name | OCIMOL;2-METHOXY-4-CARBOMETHOXYPHENYL-3-BETA-HYDROXY-LUP-20(29)-EN-28-OATE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H56O6 |
| InChI | InChI=1S/C39H56O6/c1-23(2)25-14-19-39(34(42)45-27-12-10-24(33(41)44-9)22-28(27)43-8)21-20-37(6)26(32(25)39)11-13-30-36(5)17-16-31(40)35(3,4)29(36)15-18-38(30,37)7/h10,12,22,25-26,29-32,40H,1,11,13-21H2,2-9H3/t25-,26+,29-,30+,31-,32-,36-,37+,38+,39-/m0/s1 |
| InChIKey | VAOWMWFEZLPVAY-KAWAQDAVSA-N |
| Literature Reference Author | B.S.SIDDIQUI,H.ASLAM,S.T.ALI,S.BEGUM,N.KHATOON |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,516(2007) |
| Literature Reference DOI | 10.1248/cpb.55.516 |
| Molecular Weight | 620.870 g/mol |
| Sample ID | 55516 |
| Solvent | CDCl3 |