| SpectraBase Compound ID | 1YwC9vgQ55h |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)28(24)27(32)17-30(25,26)7/h8-9,11,18-20,22-23,25-26,28H,10,12-17H2,1-7H3/b9-8+/t19-,20-,22+,23+,25-,26+,28-,29+,30-/m1/s1 |
| InChIKey | DZTSQAKYQXETIH-QXXIZJCSSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrB705LxCWs |
|---|---|
| Name | 3-BETA-(ACETYLOXY)-5-ALPHA-ERGOSTA-7,22-DIEN-11-ON |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)28(24)27(32)17-30(25,26)7/h8-9,11,18-20,22-23,25-26,28H,10,12-17H2,1-7H3/b9-8+/t19-,20-,22+,23+,25-,26+,28-,29+,30-/m1/s1 |
| InChIKey | DZTSQAKYQXETIH-QXXIZJCSSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 454.693 g/mol |
| Solvent | CHCl3 |
| Source File Reference | UNIW3438 |