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(E/Z) -Phytofluene

CAT: 0926-FH31684-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FH31684-01Size:1 mg
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CAS Number
27664-65-9
Synonyms
7,8,11,12,7',8'-Hexahydro-psi, psi-carotene; IBR-CLC
Smiles
CC (=CCC/C (=C/CC/C (=C/CC/C (=C/C=C\C=C (/C) \C=C\C=C (/C) \CC/C=C (\C) /CCC=C (C) C) /C) /C) /C) C
Molecular Formula
C40H62
Molecular Weight
542.92 g/mol
Controlled
No

Chemical Information

Phytofluene, (15Z)-

15-cis-phytofluene is a phytofluene.

CAS Number27664-65-9
PubChem CID6857557
IUPAC Name(6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene
Molecular FormulaC40H62
Molecular Weight542.9
XLogP15.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count19
Heavy Atom Count40
Formal Charge0
Complexity1010
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C
InChI
InChI=1S/C40H62/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/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11-,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
InChIKey
OVSVTCFNLSGAMM-DGFSHVNOSA-N
Chemical Structure
2D Structure
2D structure of Phytofluene, (15Z)-
CAS: 27664-65-9
CID: 6857557
Formula: C40H62
MW: 542.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.9
XLogP315.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count19
Exact Mass542.485151978
Monoisotopic Mass542.485151978
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count8
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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