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

Systemtic Name: [(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-11-yl] ethanoate Openeye Name: [(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bR)-9-hydroxy-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-11-yl] acetate CAS Name: acetic acid [(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bR)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-11-yl] ester IUPAC Name: [(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bR)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-11-yl] acetate Traditional Name: acetic acid [(1R,3aR,5aR,5bR,7aS,9S,11R,11aR,11bS,13aR,13bR)-9-hydroxy-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-11-yl] ester Formula: C32H52O3 MolecularWeight: 484.75348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C(CC(C5(C)C)O)OC(=O)C)C)C)C

Isomeric SMILES

CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H](C[C@@H](C5(C)C)O)OC(=O)C)C)C)C

InChI

InChI=1S/C32H52O3/c1-19(2)21-12-14-29(6)16-17-30(7)22(27(21)29)10-11-24-31(30,8)15-13-23-28(4,5)25(34)18-26(32(23,24)9)35-20(3)33/h21-27,34H,1,10-18H2,2-9H3/t21-,22+,23-,24-,25-,26+,27+,29+,30+,31+,32-/m0/s1