| SpectraBase Compound ID | 745LvGfs4Gx |
|---|---|
| InChI | InChI=1S/C49H82O8/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-41(52)55-33-49(54)32-37-36-24-25-39-46(7)28-27-40(56-34(2)50)44(4,5)38(46)26-29-48(39,9)47(36,8)31-30-45(37,6)43(42(49)53)57-35(3)51/h24,37-40,42-43,53-54H,10-23,25-33H2,1-9H3/t37-,38-,39+,40+,42+,43-,45+,46-,47+,48+,49-/m0/s1 |
| InChIKey | XQGWRDHKNSYJLV-JBTPRLMASA-N |
| Mol Weight | 799.2 g/mol |
| Molecular Formula | C49H82O8 |
| Exact Mass | 798.60097 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CcjdXwPm8z8 |
|---|---|
| Name | 3-ALPHA,22-ALPHA-DIACETOXY-20-BETA,21-ALPHA-DIHYDROXY-29-PALMITYLOXY-30-NOROLEAN-12-ENE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H82O8 |
| InChI | InChI=1S/C49H82O8/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-41(52)55-33-49(54)32-37-36-24-25-39-46(7)28-27-40(56-34(2)50)44(4,5)38(46)26-29-48(39,9)47(36,8)31-30-45(37,6)43(42(49)53)57-35(3)51/h24,37-40,42-43,53-54H,10-23,25-33H2,1-9H3/t37-,38-,39+,40+,42+,43-,45+,46-,47+,48+,49-/m0/s1 |
| InChIKey | XQGWRDHKNSYJLV-JBTPRLMASA-N |
| Literature Reference Author | C.M.LIU,H.X.WANG,S.L.WEI,K.GAO |
| Literature Reference Citation | J.NAT.PROD.,71,789(2008) |
| Literature Reference DOI | 10.1021/np070618n |
| Molecular Weight | 799.185 g/mol |
| Sample ID | 28234 |
| Solvent | CDCl3 |