3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-19-oxidanyl-19-(1,2,2-trimethyl-4-oxidanyl-cyclopentyl)nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol

Systemtic Name: 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-19-oxidanyl-19-(1,2,2-trimethyl-4-oxidanyl-cyclopentyl)nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol Openeye Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethyl-cyclopentyl)-3,7,12,16-tetramethyl-nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol CAS Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethylcyclopentyl)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol IUPAC Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethylcyclopentyl)-3,7,12,16-tetramethylnonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol Traditional Name: 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-19-hydroxy-19-(4-hydroxy-1,2,2-trimethyl-cyclopentyl)-3,7,12,16-tetramethyl-nonadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol Formula: C40H58O3 MolecularWeight: 586.88672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(C2(CC(CC2(C)C)O)C)O)C)C

Isomeric SMILES

CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C2(CC(CC2(C)C)O)C)O)/C)/C

InChI

InChI=1S/C40H58O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,37,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+