[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-1-[(2S)-2-(4-methoxyphenyl)-2-sulfanylidene-4H-1,3,2$l^{5}-oxathiaphosphinin-5-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ethanoate

Systemtic Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-1-[(2S)-2-(4-methoxyphenyl)-2-sulfanylidene-4H-1,3,2$l^{5}-oxathiaphosphinin-5-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ethanoate Openeye Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetoxy-1-[(2S)-2-(4-methoxyphenyl)-2-thioxo-4H-1,3,2$l^{5}-oxathiaphosphinin-5-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate CAS Name: acetic acid [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-1-[(2S)-2-(4-methoxyphenyl)-2-sulfanylidene-4H-1,3,2$l^{5}-oxathiaphosphorin-5-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester IUPAC Name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetyloxy-1-[(2S)-2-(4-methoxyphenyl)-2-sulfanylidene-4H-1,3,2$l^{5}-oxathiaphosphinin-5-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl acetate Traditional Name: acetic acid [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acetoxy-1-[(2S)-2-(4-methoxyphenyl)-2-thioxo-4H-1,3,2$l^{5}-oxathiaphosphorin-5-yl]-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]methyl ester Formula: C41H59O6PS2 MolecularWeight: 743.007321

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC12CCC(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C6=COP(=S)(SC6)C7=CC=C(C=C7)OC

Isomeric SMILES

CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C6=CO[P@@](=S)(SC6)C7=CC=C(C=C7)OC

InChI

InChI=1S/C41H59O6PS2/c1-26(42)45-25-41-20-15-31(28-23-46-48(49,50-24-28)30-11-9-29(44-8)10-12-30)36(41)32-13-14-34-38(5)18-17-35(47-27(2)43)37(3,4)33(38)16-19-40(34,7)39(32,6)21-22-41/h9-12,23,31-36H,13-22,24-25H2,1-8H3/t31-,32+,33-,34+,35-,36+,38-,39+,40+,41+,48-/m0/s1