| SpectraBase Compound ID | BM3z1pIQlDo |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-16(22-12-18(22)3)6-7-17(2)27-25(31)14-24-21-9-8-19-13-20(30)10-11-28(19,4)23(21)15-26(32)29(24,27)5/h16-27,30-32H,6-15H2,1-5H3/t16-,17-,18-,19+,20-,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | FQDOIFQTUHMQKM-NRAHUFDJSA-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 | 92zzX4ePhhA |
|---|---|
| Name | ARAGUSTEROL_G |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-16(22-12-18(22)3)6-7-17(2)27-25(31)14-24-21-9-8-19-13-20(30)10-11-28(19,4)23(21)15-26(32)29(24,27)5/h16-27,30-32H,6-15H2,1-5H3/t16-,17-,18-,19+,20-,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | FQDOIFQTUHMQKM-NRAHUFDJSA-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 | 32029 |
| Solvent | CDCl3 |