Hypoestoxide
[(1R,3S,5S,8S,10S,12R,13S)-5,10,17,17-tetramethyl-14-methylidene-15-oxo-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-12-yl] acetate
Molecular Identity
Hypoestoxide
[(1R,3S,5S,8S,10S,12R,13S)-5,10,17,17-tetramethyl-14-methylidene-15-oxo-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-12-yl] acetate
PubChem CID: 11199742
2D Structure
Properties
C22H32O5
Molecular Formula
376.50
Molecular Weight
g/mol
376.2250
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
68.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
697
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC1CC2(C(O2)CCC3(C(O3)CC4CC(=O)C(=C)C1C4(C)C)C)CIsomeric SMILES
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](O2)CC[C@]3([C@@H](O3)C[C@@H]4CC(=O)C(=C)[C@@H]1C4(C)C)C)CSynonyms(8)
hypoestoxide88498-46-8Hypoestoxide, Hypoestes rosea(1R,3S,5S,8S,10S,12R,13S)-5,10,17,17-Tetramethyl-14-methylene-15-oxo-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-12-yl acetate[(1R,3S,5S,8S,10S,12R,13S)-5,10,17,17-tetramethyl-14-methylidene-15-oxo-4,9-dioxatetracyclo[11.3.1.03,5.08,10]heptadecan-12-yl] acetateHypoestoxide(Sh)SCHEMBL29409470PD132594
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Hypoestoxide
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