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4-(acetyloxy)-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalen-1-yl acetate

4-(acetyloxy)-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalen-1-yl acetate

CAS: 604-87-5

Formula: C35H52O4

SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=CCC1=C(OC(C)=O)C2=CC=CC=C2C(OC(C)=O)=C1C

IUPAC: 4-(acetyloxy)-2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalen-1-yl acetate

InChI: InChI=1S/C35H52O4/c1-24(2)14-11-15-25(3)16-12-17-26(4)18-13-19-27(5)22-23-31-28(6)34(38-29(7)36)32-20-9-10-21-33(32)35(31)39-30(8)37/h9-10,20-22,24-26H,11-19,23H2,1-8H3/b27-22+/t25-,26-/m1/s1

Composition: C (78.31%), H (9.76%), O (11.92%)

Molar Mass: 536.797

Atom Count: 91

Heavy Atom Count: 39

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 536.386560154
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OMMWEESMXJLLLQ-LGWQWDGZSA-N
Lipinski's Rule of Five
Molar Refractivity 162.91
Topological Polar Surface Area 52.6
Polarizability 65.12
Ring Count 2
Rotatable Bond Count 18

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 604-87-5 $80.58-$940.44$80.58$156.06$315.18$940.44
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