Basic information
- Standard SMILES
COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C- InChIKey
CXZXVEIFQBEHTM-HHOXJLNZSA-N- Molecular formula
- C36H48O2
- Average molar mass
- 512.8 g/mol
Overview
Neurosporaxanthin methyl ester has been reported in Nectria cinnabarina with data available.
Names & identifiers
- Preferred name
- Neurosporaxanthin methyl ester
- IUPAC
- methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate
Names & synonyms
Neurosporaxanthin methyl ester4'-Apo-.beta.,.psi.-carotenoic acid, methyl esterMethyl ester of neurosporaxanthin4'-Apo-.gamma.-carotenoic acid, methyl ester, all-trans-Methyl 4'-apo-beta,psi-caroten-4'-oateRefChem:165583methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohexen-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoate4'-Apo-beta,psi-carotenoic acid, methyl ester4'-Apo-gamma-carotenoic acid, methyl ester, all-trans-5389-78-6CXZXVEIFQBEHTM-HHOXJLNZSA-NSCHEMBL2840976
Show more names
LMPR01070595Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoate #
Database identifiers
- PubChem CID
- 5380055
- Nikkaji
- J38.774F
Properties
Computed structural properties
- XLogP
- 11.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,150
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Related reactions
1 records
Compound notes
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