| SpectraBase Compound ID | 4LXRNLTbbyi |
|---|---|
| InChI | InChI=1S/C33H54O3/c1-21-13-16-29(5)19-20-31(7)23(27(29)33(21,9)35-10)11-12-25-30(6)17-15-26(36-22(2)34)28(3,4)24(30)14-18-32(25,31)8/h13,23-27H,11-12,14-20H2,1-10H3/t23?,24?,25?,26-,27?,29+,30-,31+,32+,33+/m0/s1 |
| InChIKey | XMLNRAKOWISVEK-IQPBRIEMSA-N |
| Mol Weight | 498.8 g/mol |
| Molecular Formula | C33H54O3 |
| Exact Mass | 498.407296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KPrc7eNace |
|---|---|
| Name | 3-BETA-ACETOXY-19-ALPHA-METHOXY-20-TARAXASTENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H54O3 |
| InChI | InChI=1S/C33H54O3/c1-21-13-16-29(5)19-20-31(7)23(27(29)33(21,9)35-10)11-12-25-30(6)17-15-26(36-22(2)34)28(3,4)24(30)14-18-32(25,31)8/h13,23-27H,11-12,14-20H2,1-10H3/t23?,24?,25?,26-,27?,29+,30-,31+,32+,33+/m0/s1 |
| InChIKey | XMLNRAKOWISVEK-IQPBRIEMSA-N |
| Literature Reference Author | Y.M.CHIANG,Y.H.KUO |
| Literature Reference Citation | J.NAT.PROD.,63,898(2000) |
| Literature Reference DOI | 10.1021/np990630i |
| Molecular Weight | 498.790 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE3810 |