[(1R,3aS,5aR,5bR,7aR,8R,11aR,11bR,13aR,13bS)-3a-(hydroxymethyl)-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-(hydroxymethyl)-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)-9-hydroxy-3a-(hydroxymethyl)-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)-9-hydroxy-3a-(hydroxymethyl)-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)-9-hydroxy-3a-(hydroxymethyl)-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)-9-hydroxy-5a,5b,8,11a-tetramethyl-3a-methylol-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: C32H52O5 MolecularWeight: 516.75228

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H52O5/c1-20(17-33)22-9-14-32(18-34)16-15-30(5)23(27(22)32)7-8-25-28(3)12-11-26(36)29(4,19-37-21(2)35)24(28)10-13-31(25,30)6/h22-27,33-34,36H,1,7-19H2,2-6H3/t22-,23+,24+,25+,26?,27+,28-,29-,30+,31+,32+/m0/s1