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4,5,9,9,14,21,21-heptamethyl-10,25-dioxahexacyclo[18.3.2.0¹,¹?.0?,¹?.0?,¹?.0?,¹?]pentacosan-11-one

4,5,9,9,14,21,21-heptamethyl-10,25-dioxahexacyclo[18.3.2.0¹,¹?.0?,¹?.0?,¹?.0?,¹?]pentacosan-11-one

Formula: C30H48O3

SMILES: CC1(C)CCC23COC1C2C1CCC2C4(C)CCC(=O)OC(C)(C)C4CCC2(C)C1(C)CC3

IUPAC: 4,5,9,9,14,21,21-heptamethyl-10,25-dioxahexacyclo[18.3.2.0¹,¹?.0?,¹?.0?,¹?.0?,¹?]pentacosan-11-one

InChI: InChI=1/C30H48O3/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)33-26(3,4)20(27)10-13-29(21,28)7/h19-21,23-24H,8-18H2,1-7H3

Composition: C (78.90%), H (10.59%), O (10.51%)

Molar Mass: 456.711

Atom Count: 81

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 9
Exact Mass 456.360345406
Formal Charge 0
FSP3 0.97
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VAPKIVYIZQDLCT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 131.11
Topological Polar Surface Area 35.53
Polarizability 53.07
Ring Count 6
Rotatable Bond Count 0

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C30H48O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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