| SpectraBase Compound ID | C4aQtRV5MoP |
|---|---|
| InChI | InChI=1S/C32H54O3/c1-8-9-18-35-29-19-25-27-13-12-26(23(5)11-10-22(4)21(2)3)30(27,6)16-15-28(25)31(7)17-14-24(33)20-32(29,31)34/h10-11,19,21-24,26-29,33-34H,8-9,12-18,20H2,1-7H3/b11-10+/t22-,23-,24+,26-,27?,28?,29-,30-,31-,32+/m1/s1 |
| InChIKey | REDLNGNAWVGTOL-NCQVLEKKSA-N |
| Mol Weight | 486.8 g/mol |
| Molecular Formula | C32H54O3 |
| Exact Mass | 486.407296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GnylPjvLr2 |
|---|---|
| Name | HOMAXISTEROL_A3;(22-E,24-R)-6-O-BUTYL-24-METHYLCHOLESTA-7,22-DIENE-3-BETA,5-ALPHA,6-BETA-TRIOL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H54O3 |
| InChI | InChI=1S/C32H54O3/c1-8-9-18-35-29-19-25-27-13-12-26(23(5)11-10-22(4)21(2)3)30(27,6)16-15-28(25)31(7)17-14-24(33)20-32(29,31)34/h10-11,19,21-24,26-29,33-34H,8-9,12-18,20H2,1-7H3/b11-10+/t22-,23-,24+,26-,27?,28?,29-,30-,31-,32+/m1/s1 |
| InChIKey | REDLNGNAWVGTOL-NCQVLEKKSA-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 | 486.779 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ7680 |