| SpectraBase Compound ID | EvP7gyEU4FA |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-19(2)20(3)8-9-21(4)25-10-11-26-24-13-17-30(32)18-23(33-22(5)31)12-16-29(30,7)27(24)14-15-28(25,26)6/h8-9,13-14,19-21,23,25-26,32H,10-12,15-18H2,1-7H3/b9-8+/t20?,21-,23+,25-,26+,28-,29-,30-/m1/s1 |
| InChIKey | UJZUPCLEQOADBH-QMUVGDGUSA-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 | GxECFZIkpJy |
|---|---|
| Name | 5-ALPHA-ERGOSTA-7,9(11),22-TRIEN-3-BETA-5-DIOL-3-ACETAT |
| Compound Number | 281 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-19(2)20(3)8-9-21(4)25-10-11-26-24-13-17-30(32)18-23(33-22(5)31)12-16-29(30,7)27(24)14-15-28(25,26)6/h8-9,13-14,19-21,23,25-26,32H,10-12,15-18H2,1-7H3/b9-8+/t20?,21-,23+,25-,26+,28-,29-,30-/m1/s1 |
| InChIKey | UJZUPCLEQOADBH-QMUVGDGUSA-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 | UNIW3409 |