PDB CCD ID: | YA1 | ||||||||||||
Number of entries in BioLiP: | 2 | ||||||||||||
Chemical formula: | C31 H52 O3 | ||||||||||||
InChI: | InChI=1S/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24-,26-,27+,28-,29-,31-/m1/s1 | ||||||||||||
InChIKey: | RSXHMKSDJHHTDU-PJSVQGINSA-N | ||||||||||||
SMILES: |
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Name: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol | ||||||||||||
ChEMBL: | CHEMBL3264166 | ||||||||||||
ZINC: | ZINC000098209632 |