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(6R) -δ-Carotene

CAT: 0926-GBA06333-01Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0926-GBA06333-01Size:0.5 mg
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CAS Number
31063-33-9
Smiles
CC1=CCCC (C1C=CC (=CC=CC (=CC=CC=C (C) C=CC=C (C) C=CC=C (C) CCC=C (C) C) C) C) (C) C
Molecular Formula
C40H56
Molecular Weight
536.9 g/mol
Controlled
No

Chemical Information

epsilon,psi-Carotene, (6R)-

(+)-δ-Carotene has been reported in Citrus reticulata and Citrus deliciosa with data available.

CAS Number31063-33-9
PubChem CID5281230
IUPAC Name(6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene
Molecular FormulaC40H56
Molecular Weight536.9
XLogP14.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity1160
SMILES
CC1=CCCC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)(C)C
InChI
InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+/t39-/m0/s1
InChIKey
WGIYGODPCLMGQH-GOXCNPTKSA-N
Chemical Structure
2D Structure
2D structure of epsilon,psi-Carotene, (6R)-
CAS: 31063-33-9
CID: 5281230
Formula: C40H56
MW: 536.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.9
XLogP314.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Exact Mass536.438201786
Monoisotopic Mass536.438201786
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count10
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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