(1R,4aS,4bR,10bS,12aS)-2-chloranyl-12a-ethyl-1-ethynyl-8-methoxy-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol

Systemtic Name: (1R,4aS,4bR,10bS,12aS)-2-chloranyl-12a-ethyl-1-ethynyl-8-methoxy-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol Openeye Name: (1R,4aS,4bR,10bS,12aS)-2-chloro-12a-ethyl-1-ethynyl-8-methoxy-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol CAS Name: (1R,4aS,4bR,10bS,12aS)-2-chloro-12a-ethyl-1-ethynyl-8-methoxy-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol IUPAC Name: (1R,4aS,4bR,10bS,12aS)-2-chloro-12a-ethyl-1-ethynyl-8-methoxy-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol Traditional Name: (1R,4aS,4bR,10bS,12aS)-2-chloro-12a-ethyl-1-ethynyl-8-methoxy-4,4a,4b,5,6,10b,11,12-octahydrochrysen-1-ol Formula: C23H27ClO2 MolecularWeight: 370.91228

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1CC=C(C2(C#C)O)Cl)CCC4=C3C=CC(=C4)OC

Isomeric SMILES

CC[C@]12CC[C@H]3[C@H]([C@@H]1CC=C([C@]2(C#C)O)Cl)CCC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H27ClO2/c1-4-22-13-12-18-17-9-7-16(26-3)14-15(17)6-8-19(18)20(22)10-11-21(24)23(22,25)5-2/h2,7,9,11,14,18-20,25H,4,6,8,10,12-13H2,1,3H3/t18-,19-,20+,22+,23+/m1/s1