cis-y,y-Carotene

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Basic information

CAS: 4418-71-7
Standard SMILES: CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
InChIKey: OAIJSZIZWZSQBC-UHFFFAOYSA-N
Molecular formula: C40H56
Average molar mass: 536.9 g/mol
Monoisotopic mass: 536.43820179

Overview

2,6,10,14,19,23,27,31-Octamethyl 2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaene has been reported in Pyracantha angustifolia, Allomyces javanicus, and other organisms with data available.

Names & identifiers

Preferred name: cis-y,y-Carotene
IUPAC: 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene

Names & synonyms

cis-y,y-Carotene2,6,10,14,19,23,27,31-octamethyl 2,6,8,10,12,14,16,18,20,22,24,26,30-dotriacontatridecaeneLycopene, dispersionSpectrum_001666Spectrum3_001805Spectrum4_001998KBioGR_002563KBioSS_002146orb1304914SCHEMBL1423410KBio2_002146KBio2_004714

Show more names

KBio2_007282KBio3_002892AKOS030242559NCI60_003882

Database identifiers

CAS: 4418-71-7
PubChem CID: 3977
DTXSID: DTXSID70859421

Properties

Computed structural properties

XLogP: 15.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 16
Heavy atoms: 40
Formal charge: 0
Complexity: 1,050

Related reactions

1 records

New reaction record

HRID 124924As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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