ethyl (4R,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-(methoxymethoxy)-2-methylidene-hexanoate

Systemtic Name: ethyl (4R,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-(methoxymethoxy)-2-methylidene-hexanoate Openeye Name: ethyl (4R,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-(methoxymethoxy)-2-methylene-hexanoate CAS Name: (4R,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-(methoxymethoxy)-2-methylenehexanoic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-4-(methoxymethoxy)-2-methylidenehexanoate Traditional Name: 2-[(2R,3S)-3-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-(methoxymethoxy)butyl]acrylic acid ethyl ester Formula: C46H66O5Si MolecularWeight: 727.09874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)CC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)OCOC

Isomeric SMILES

CCOC(=O)C(=C)C[C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C)C)OCOC

InChI

InChI=1S/C46H66O5Si/c1-10-49-43(47)32(2)29-42(50-31-48-9)33(3)39-23-24-40-38-22-21-34-30-35(25-27-45(34,7)41(38)26-28-46(39,40)8)51-52(44(4,5)6,36-17-13-11-14-18-36)37-19-15-12-16-20-37/h11-21,33,35,38-42H,2,10,22-31H2,1,3-9H3/t33-,35-,38-,39+,40-,41-,42+,45-,46+/m0/s1