methyl 3-[(8'R,9'S,10'R,13'S,14'S,17'S)-17'-(1-ethoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoate

Systemtic Name: methyl 3-[(8'R,9'S,10'R,13'S,14'S,17'S)-17'-(1-ethoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoate Openeye Name: methyl 3-[(8'R,9'S,10'R,13'S,14'S,17'S)-17'-(1-ethoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoate CAS Name: 3-[(8'R,9'S,10'R,13'S,14'S,17'S)-17'-(1-ethoxyethoxy)-10',13'-dimethyl-17'-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]yl]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[(8'R,9'S,10'R,13'S,14'S,17'S)-17'-(1-ethoxyethoxy)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]prop-2-ynoate Traditional Name: 3-[(8'R,9'S,10'R,13'S,14'S,17'S)-17'-(1-ethoxyethoxy)-10',13'-dimethyl-spiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-17'-yl]propiolic acid methyl ester Formula: C29H42O6 MolecularWeight: 486.64018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC1(CCC2C1(CCC3C2CC=C4C3(CCC5(C4)OCCO5)C)C)C#CC(=O)OC

Isomeric SMILES

CCOC(C)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC5(C4)OCCO5)C)C)C#CC(=O)OC

InChI

InChI=1S/C29H42O6/c1-6-32-20(2)35-28(14-11-25(30)31-5)13-10-24-22-8-7-21-19-29(33-17-18-34-29)16-15-26(21,3)23(22)9-12-27(24,28)4/h7,20,22-24H,6,8-10,12-13,15-19H2,1-5H3/t20?,22-,23+,24+,26+,27+,28-/m1/s1