| SpectraBase Compound ID | 2Wxdcvw0XA8 |
|---|---|
| InChI | InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h16,18-26,29-31H,3,7-15H2,1-2,4-6H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | TXNNVGFGCZGHTJ-MRJHAOBPSA-N |
| Mol Weight | 432.7 g/mol |
| Molecular Formula | C28H48O3 |
| Exact Mass | 432.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18Zj3MJdJJW |
|---|---|
| Name | 3-ALPHA,12-ALPHA,16-ALPHA-TRIHYDROXY-24-METHYLCHOLEST-24-(28)-ENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O3 |
| InChI | InChI=1S/C28H48O3/c1-16(2)17(3)7-8-18(4)26-24(30)14-23-21-10-9-19-13-20(29)11-12-27(19,5)22(21)15-25(31)28(23,26)6/h16,18-26,29-31H,3,7-15H2,1-2,4-6H3/t18-,19+,20-,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1 |
| InChIKey | TXNNVGFGCZGHTJ-MRJHAOBPSA-N |
| Literature Reference Author | I.P.HOLLAND,A.MCCLUSKEY,J.A.SAKOFF,J.GILBERT,N.CHAU,P.J.ROBI NSON,C.A.MOTTI,A.D.W |
| Literature Reference Citation | J.NAT.PROD.,72,102(2009) |
| Literature Reference DOI | 10.1021/np800688f |
| Molecular Weight | 432.687 g/mol |
| Sample ID | 32027 |
| Solvent | CDCl3 |