Cholesterol N-amyl carbonate

• CAS: 15455-79-5
• Catalog Number: ACM15455795
• Category: Other Products
• Molecular Weight: 500.8g/mol
• Molecular Formula: C33H56O3
• IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentyl carbonate
• Canonical SMILES: CCCCCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
• InChI: InChI=1S/C33H56O3/c1-7-8-9-21-35-31(34)36-26-17-19-32(5)25(22-26)13-14-27-29-16-15-28(24(4)12-10-11-23(2)3)33(29,6)20-18-30(27)32/h13,23-24,26-30H,7-12,14-22H2,1-6H3/t24-,26+,27+,28-,29+,30+,32+,33-/m1/s1
• InChI Key: AXZGKUVSDXMPGA-FLFWOSPYSA-N
• Complexity: 771
• Covalently-Bonded Unit Count: 1
• Exact Mass: 500.422946g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 36
• Monoisotopic Mass: 500.422946g/mol
• Rotatable Bond Count: 12
• XLogP3: 11.3