(3S,13bS)-3-[(2R)-hexan-2-yl]-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene

Systemtic Name: (3S,13bS)-3-[(2R)-hexan-2-yl]-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene Openeye Name: (3S,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-[(1R)-1-methylpentyl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene CAS Name: (3S,13bS)-3-[(2R)-hexan-2-yl]-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene IUPAC Name: (3S,13bS)-3-[(2R)-hexan-2-yl]-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene Traditional Name: (3S,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-[(1R)-1-methylpentyl]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene Formula: C33H58 MolecularWeight: 454.81362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C

Isomeric SMILES

CCCC[C@@H](C)[C@@H]1CC[C@]2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C

InChI

InChI=1S/C33H58/c1-9-10-12-23(2)24-15-20-30(5)25(24)16-21-32(7)27(30)13-14-28-31(6)19-11-18-29(3,4)26(31)17-22-33(28,32)8/h23-28H,9-22H2,1-8H3/t23-,24+,25?,26?,27?,28?,30+,31?,32?,33?/m1/s1