| SpectraBase Compound ID | A1ujHQTcV0W |
|---|---|
| InChI | InChI=1S/C29H44O3/c1-18(2)8-7-9-19(3)21-13-17-29(26(31)32)24-11-10-22-20(4)25(30)14-15-27(22,5)23(24)12-16-28(21,29)6/h8,19-22H,7,9-17H2,1-6H3,(H,31,32)/t19-,20+,21-,22+,27+,28-,29+/m1/s1 |
| InChIKey | XPVBOVLRGJGVJN-SKDMXAQLSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C29H44O3 |
| Exact Mass | 440.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tNJh90XjKm |
|---|---|
| Name | 29-NOR-PENASTERONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O3 |
| InChI | InChI=1S/C29H44O3/c1-18(2)8-7-9-19(3)21-13-17-29(26(31)32)24-11-10-22-20(4)25(30)14-15-27(22,5)23(24)12-16-28(21,29)6/h8,19-22H,7,9-17H2,1-6H3,(H,31,32)/t19-,20+,21-,22+,27+,28-,29+/m1/s1 |
| InChIKey | XPVBOVLRGJGVJN-SKDMXAQLSA-N |
| Literature Reference Author | S.A.KOLESNIKOVA,E.G.LYAKHOVA,A.I.KALINOVSKY,M.A.PUSHILIN,S.S .AFIYATULLOV,E.A.YUR |
| Literature Reference Citation | J.NAT.PROD.,76,1746(2013) |
| Literature Reference DOI | 10.1021/np400388x |
| Molecular Weight | 440.667 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ43202 |