| SpectraBase Compound ID | EIhcd8qDctP |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-7-19(17(2)3)9-8-18(4)27-25(31)15-24-22-11-10-20-14-21(30)12-13-28(20,5)23(22)16-26(32)29(24,27)6/h18-27,30-32H,2,7-16H2,1,3-6H3/t18-,19?,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | FMNHMKJQPJAHCG-HMZQBNBCSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KykJVewhZh3 |
|---|---|
| Name | 3-ALPHA,12-ALPHA,16-ALPHA-TRIHYDROXY-24-ZETA-ETHYLCHOLEST-25-ENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-7-19(17(2)3)9-8-18(4)27-25(31)15-24-22-11-10-20-14-21(30)12-13-28(20,5)23(22)16-26(32)29(24,27)6/h18-27,30-32H,2,7-16H2,1,3-6H3/t18-,19?,20+,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | FMNHMKJQPJAHCG-HMZQBNBCSA-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 | 446.714 g/mol |
| Sample ID | 32025 |
| Solvent | CDCl3 |