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Lycopane

CAT: 0013-GTR19193588Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193588Size:25 mg
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Description
Lycopane
CAS Number
45316-02-7
Smiles
CC (C) CCCC (C) CCCC (C) CCCC (C) CCCCC (C) CCCC (C) CCCC (C) CCCC (C) C
Molecular Formula
C40H82
Molecular Weight
563.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lycopane

acyclic terpene; RN & N1 from CA Vol 90 Form Index; structure in first source

CAS Number45316-02-7
PubChem CID162550
IUPAC Name2,6,10,14,19,23,27,31-octamethyldotriacontane
Molecular FormulaC40H82
Molecular Weight563.1
XLogP19.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count29
Heavy Atom Count40
Formal Charge0
Complexity458
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI
InChI=1S/C40H82/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h33-40H,11-32H2,1-10H3
InChIKey
VZVGMMPGAFGVOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lycopane
CAS: 45316-02-7
CID: 162550
Formula: C40H82
MW: 563.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.1
XLogP319.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count29
Exact Mass562.64165262
Monoisotopic Mass562.64165262
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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