Cyclabil
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Molecular Identity
Cyclabil
(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
PubChem CID: 9852801
2D Structure
Properties
C44H60O5
Molecular Formula
668.90
Molecular Weight
g/mol
668.4441
Exact Mass
Da
83.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
1130
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C.CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34Isomeric SMILES
SMILES: CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C.CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34Synonyms(8)
Cyclabil65394-89-0CyklabilCycloprogynonCyclo-ProgynovaSCHEMBL31542156(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one;[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17alpha)-(+-)-, mixt. with (17beta)-3-hydroxyestra-1,3,5(10)-trien-17-yl pentanoate
Data from PubChem (NCBI)
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