CHEMBL3263871
trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-hydroxyhex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
Molecular Identity
CHEMBL3263871
trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,6S)-6-(1-adamantyl)-6-hydroxyhex-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
PubChem CID: 71484079
2D Structure
Properties
C35H50O3
Molecular Formula
518.80
Molecular Weight
g/mol
518.3760
Exact Mass
Da
6.4
XLogP
Above Lipinski threshold
60.7
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(5)
CHEMBL3263871(1r,3r,7e,17beta)-17-{(2r,6s)-6-Hydroxy-6-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]hex-4-Yn-2-Yl}-2-Methylidene-9,10-Secoestra-5,7-Diene-1,3-Diol3vtbBDBM50015318TKA
Data from PubChem (NCBI)
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