| SpectraBase Compound ID | CN77s4W7AC9 |
|---|---|
| InChI | InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-22,25-27H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | DZUAZCZFSVNHEF-LMJWDVFBSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvpNPGUGkgd |
|---|---|
| Name | SPINASTERONE;(22E)-5-ALPHA-STIGMASTA-7,22-DIEN-3-ONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-22,25-27H,7,10,12-18H2,1-6H3/b9-8+/t20-,21+,22+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | DZUAZCZFSVNHEF-LMJWDVFBSA-N |
| Literature Reference Author | T.AKIHISA,Y.KIMURA,T.TAI,K.ARAI |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1161(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1161 |
| Molecular Weight | 410.684 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU8206 |