| SpectraBase Compound ID | 2nS7OwYWZxm |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(11-12-27(21,22)5)28(6)19(14-24(26)30)13-20(29)15-25(28)31/h7-8,14,16-18,20-26,29-31H,9-13,15H2,1-6H3/b8-7+/t17-,18+,20+,21+,22-,23-,24+,25-,26-,27+,28-/m0/s1 |
| InChIKey | JONUAVOYQQTXRP-QUWFWCPYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9L1vMfnln3D |
|---|---|
| Name | (22E)-METHYLCHOLESTA-5,22-DIENE-1-ALPHA,3-BETA,7-ALPHA-TRIOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-9-10-22-26-23(11-12-27(21,22)5)28(6)19(14-24(26)30)13-20(29)15-25(28)31/h7-8,14,16-18,20-26,29-31H,9-13,15H2,1-6H3/b8-7+/t17-,18+,20+,21+,22-,23-,24+,25-,26-,27+,28-/m0/s1 |
| InChIKey | JONUAVOYQQTXRP-QUWFWCPYSA-N |
| Literature Reference Author | S.S.AL-LIHAIBI,S.E.N.AYYAD,F.SHAHER,W.M.ALARIF |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1635(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1635 |
| Molecular Weight | 430.671 g/mol |
| Source File Reference | UWBT4035 |