| SpectraBase Compound ID | B95CVTznPWM |
|---|---|
| InChI | InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,11,15,19-21,23-24,26-27H,10,12-14,16-18H2,1-7H3/b9-8+/t20?,21-,23+,24+,26-,27+,29+,30-/m1/s1 |
| InChIKey | BLGIZCMIOHIMNJ-BUTOXJGDSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C30H46O2 |
| Exact Mass | 438.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4r7qenm5neX |
|---|---|
| Name | 5-ALPHA-ERGOSTA-7,9(11),22-TRIEN-3-BETA-YL-ACETAT |
| Compound Number | 279 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H46O2 |
| InChI | InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-9,11,15,19-21,23-24,26-27H,10,12-14,16-18H2,1-7H3/b9-8+/t20?,21-,23+,24+,26-,27+,29+,30-/m1/s1 |
| InChIKey | BLGIZCMIOHIMNJ-BUTOXJGDSA-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 | 438.694 g/mol |
| Solvent | CHCl3 |
| Source File Reference | UNIW3442 |