[(1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3a-(acetyloxymethyl)-5a,5b,8,11a-tetramethyl-9-oxidanyl-1-(3-oxidanylprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ethanoate

Systemtic Name: [(1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3a-(acetyloxymethyl)-5a,5b,8,11a-tetramethyl-9-oxidanyl-1-(3-oxidanylprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ethanoate Openeye Name: [(1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3a-(acetoxymethyl)-9-hydroxy-1-[1-(hydroxymethyl)vinyl]-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate CAS Name: acetic acid [(1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3a-(acetyloxymethyl)-9-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ester IUPAC Name: [(1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3a-(acetyloxymethyl)-9-hydroxy-1-(3-hydroxyprop-1-en-2-yl)-5a,5b,8,11a-tetramethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl acetate Traditional Name: acetic acid [(1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3a-(acetoxymethyl)-9-hydroxy-5a,5b,8,11a-tetramethyl-1-(1-methylolvinyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-8-yl]methyl ester Formula: C34H54O6 MolecularWeight: 558.78896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(=C)CO)COC(=O)C)C)C)C

Isomeric SMILES

CC(=O)OC[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CCC1O)C)CC[C@H]4[C@]3(CC[C@@]5([C@@H]4[C@@H](CC5)C(=C)CO)COC(=O)C)C)C)C

InChI

InChI=1S/C34H54O6/c1-21(18-35)24-10-15-34(20-40-23(3)37)17-16-32(6)25(29(24)34)8-9-27-30(4)13-12-28(38)31(5,19-39-22(2)36)26(30)11-14-33(27,32)7/h24-29,35,38H,1,8-20H2,2-7H3/t24-,25+,26+,27+,28?,29+,30-,31-,32+,33+,34+/m0/s1