Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6DG7U
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| Ligand Name |
Rockogenin
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| Synonyms |
Rockogenin; 16653-52-4; (25R)-5alpha-spirostan-3beta,12beta-diol; (1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10,16-diol; 5alpha,25alpha-Spirostan-3beta,12-diol; (1r,2s,4s,5'r,6r,7s,8r,9s,10r,12s,13s,16s,18s)-5',7,9,13-Tetramethylspiro[5-Oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-Oxane]-10,16-Diol; Spirostan-3,12-diol; SCHEMBL8904672; DTXSID70937213; CHEBI:186722; LMST01080017; (25R)-5alpha-Spirostane-3beta,12beta-diol; (3beta,5alpha,12beta,25R)spirostan-3,12-diol; Spirostan-3,12-diol, (3beta,5alpha,12beta,25R)-; 82R
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| Structure |
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Download2D MOL |
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| Formula |
C27H44O4
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| Canonical SMILES |
CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CCC(C6)O)C)O)C)C)OC1
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| InChI |
1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1
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| InChIKey |
BQNMOLSYHYSCMS-TUUYSWIFSA-N
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| PubChem Compound ID | ||||
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