| SpectraBase Compound ID | IEOKtreDsJm |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-18-10-12-29(6)14-15-30(7)21(26(29)19(18)2)16-22-27-31(30,8)13-11-23-28(4,5)24(34-20(3)33)17-25(36-35-22)32(23,27)9/h16,18-19,22-27H,10-15,17H2,1-9H3/t18-,19+,22-,23?,24+,25-,26?,27?,29-,30-,31-,32-/m1/s1 |
| InChIKey | POHSXZIZHBZVSD-GMHFKWQBSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FiBMC5aofgu |
|---|---|
| Name | 3-BETA-ACETOXY-1-BETA,11-ALPHA-EPIDIOXY-12-URSENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-18-10-12-29(6)14-15-30(7)21(26(29)19(18)2)16-22-27-31(30,8)13-11-23-28(4,5)24(34-20(3)33)17-25(36-35-22)32(23,27)9/h16,18-19,22-27H,10-15,17H2,1-9H3/t18-,19+,22-,23?,24+,25-,26?,27?,29-,30-,31-,32-/m1/s1 |
| InChIKey | POHSXZIZHBZVSD-GMHFKWQBSA-N |
| Literature Reference Author | Y.M.CHIANG,Y.H.KUO |
| Literature Reference Citation | J.NAT.PROD.,64,436(2001) |
| Literature Reference DOI | 10.1021/np0004808 |
| Molecular Weight | 498.747 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9326 |