Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA6IP4
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| Ligand Name |
(1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7a-Methyl-1,2,3,3a,6,7-Hexahydroinden-4-Yl]ethynyl]-2-Methyl-Cyclohex-4-Ene-1,3-Diol
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| Synonyms |
(1r,2s,3r)-5-[2-[(1r,3as,7ar)-1-[(2r)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7a-Methyl-1,2,3,3a,6,7-Hexahydroinden-4-Yl]ethynyl]-2-Methyl-Cyclohex-4-Ene-1,3-Diol; CA9; Q27458709; (3R,5R)-1-[[(1R)-1beta-[(1R)-5-Hydroxy-1,5-dimethylhexyl]-7abeta-methyl-2,3,3abeta,6,7,7a-hexahydro-1H-indene-4-yl]ethynyl]-4beta-methyl-1-cyclohexene-3beta,5alpha-diol
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| Structure |
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Download2D MOL |
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| Formula |
C27H42O3
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| Canonical SMILES |
CC1C(CC(=CC1O)C#CC2=CCCC3(C2CCC3C(C)CCCC(C)(C)O)C)O
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| InChI |
1S/C27H42O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h9,16,18-19,22-25,28-30H,6-8,12-15,17H2,1-5H3/t18-,19-,22-,23-,24-,25-,27-/m1/s1
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| InChIKey |
YCBJWNMIMDLOPD-ADFBMCJESA-N
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| PubChem Compound ID | ||||
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