| SpectraBase Compound ID | CIiW7mMIXHU |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+/t22-,23+,25-,26?,27?,28-,29-,30-,31+/m1/s1 |
| InChIKey | QLOAJHDVIXGFQK-LREBSCFDSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUYIjRfYDpz |
|---|---|
| Name | HOMAXISTEROL_A1;(22-E)-6-O-BUTYLCHOLESTA-7,22-DIENE-3-BETA,5-ALPHA,6-BETA-TRIOL |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+/t22-,23+,25-,26?,27?,28-,29-,30-,31+/m1/s1 |
| InChIKey | QLOAJHDVIXGFQK-LREBSCFDSA-N |
| Literature Reference Author | T.A.MANSOOR,J.HONG,C.O.LEE,S.J.BAE,K.S.IM,J.H.JUNG |
| Literature Reference Citation | J.NAT.PROD.,68,331(2005) |
| Literature Reference DOI | 10.1021/np0496690 |
| Molecular Weight | 472.752 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ7678 |