[(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-8-oxidanyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate

Systemtic Name: [(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-8-oxidanyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate Openeye Name: [(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate CAS Name: hexadecanoic acid [(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] ester IUPAC Name: [(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] hexadecanoate Traditional Name: palmitic acid [(3S,4aR,6aR,6aR,6bR,8S,8aS,12S,12aR,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] ester Formula: C46H80O3 MolecularWeight: 681.1256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4C5C(C(=C)CCC5(C(CC4(C3(CCC2C1(C)C)C)C)O)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](C(=C)CC[C@@]5([C@H](C[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)O)C)C)C

InChI

InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-28-30-43(6)36(42(39,4)5)27-31-45(8)37(43)25-24-35-41-34(3)33(2)26-29-44(41,7)38(47)32-46(35,45)9/h34-39,41,47H,2,10-32H2,1,3-9H3/t34-,35-,36+,37-,38+,39+,41-,43+,44-,45-,46-/m1/s1