2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hepta-4,6-diyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane

Systemtic Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hepta-4,6-diyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane Openeye Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylhexa-3,5-diynyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran CAS Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hepta-4,6-diyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane IUPAC Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hepta-4,6-diyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane Traditional Name: 2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylhexa-3,5-diynyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran Formula: C31H44O2 MolecularWeight: 448.67986

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#CC#C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCCCO5)C)C

Isomeric SMILES

C[C@H](CC#CC#C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5CCCCO5)C)C

InChI

InChI=1S/C31H44O2/c1-5-6-7-10-22(2)26-14-15-27-25-13-12-23-21-24(33-29-11-8-9-20-32-29)16-18-30(23,3)28(25)17-19-31(26,27)4/h1,12,22,24-29H,8-11,13-21H2,2-4H3/t22-,24+,25+,26-,27+,28+,29?,30+,31-/m1/s1