| SpectraBase Compound ID | 99mxIkPRwiS |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | IZEUIYYDWBKERE-ZRODXFKISA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | K5rEcCu3okj |
|---|---|
| Name | Stigmasta-5,22-dien-3β-ol, acetate |
| Source of Sample | Bio-Rad Laboratories, Inc. |
| Comments | Tentative structure; Some carbon atoms are unassigned |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,20-21,23,25-29H,8,12-19H2,1-7H3/b10-9+/t21-,23-,25+,26+,27-,28+,29+,30+,31-/m1/s1 |
| InChIKey | IZEUIYYDWBKERE-ZRODXFKISA-N |
| Molecular Weight | 454.74 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |