(5'R,8'S,10'S,13'S,14'S,17'S)-10'-[(2-chloranyl-5-methoxy-phenyl)methyl]-5,5,13'-trimethyl-spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol

Systemtic Name: (5'R,8'S,10'S,13'S,14'S,17'S)-10'-[(2-chloranyl-5-methoxy-phenyl)methyl]-5,5,13'-trimethyl-spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol Openeye Name: (5'R,8'S,10'S,13'S,14'S,17'S)-10'-[(2-chloro-5-methoxy-phenyl)methyl]-5,5,13'-trimethyl-spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol CAS Name: (5'R,8'S,10'S,13'S,14'S,17'S)-10'-[(2-chloro-5-methoxyphenyl)methyl]-5,5,13'-trimethylspiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol IUPAC Name: (5'R,8'S,10'S,13'S,14'S,17'S)-10'-[(2-chloro-5-methoxyphenyl)methyl]-5,5,13'-trimethylspiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol Traditional Name: (5'R,8'S,10'S,13'S,14'S,17'S)-10'-(2-chloro-5-methoxy-benzyl)-5,5,13'-trimethyl-spiro[1,3-dioxane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-5',17'-diol Formula: C31H43ClO5 MolecularWeight: 531.12312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2(CCC3(C4=CCC5(C(C4CCC3(C2)O)CCC5O)C)CC6=C(C=CC(=C6)OC)Cl)OC1)C

Isomeric SMILES

C[C@]12CC=C3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@]4([C@@]3(CCC5(C4)OCC(CO5)(C)C)CC6=C(C=CC(=C6)OC)Cl)O

InChI

InChI=1S/C31H43ClO5/c1-27(2)18-36-31(37-19-27)14-13-29(16-20-15-21(35-4)5-7-25(20)32)24-10-11-28(3)23(6-8-26(28)33)22(24)9-12-30(29,34)17-31/h5,7,10,15,22-23,26,33-34H,6,8-9,11-14,16-19H2,1-4H3/t22-,23-,26-,28-,29-,30+/m0/s1