11',12'-Dihydrospheroidene
Basic information
- CAS
22076-59-1- Standard SMILES
COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C- InChIKey
RSHHQJWJRSGCDO-GPPPXPDPSA-N- Molecular formula
- C41H62O
- Average molar mass
- 570.9 g/mol
- Monoisotopic mass
- 570.4800666
Overview
11',12'-Dihydrospheroidene has been reported in Rhodospirillum rubrum with data available.
Names & identifiers
- Preferred name
- 11',12'-Dihydrospheroidene
- IUPAC
- (6E,10E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,20,22,24,26,28-undecaene
- English name
- 3,4-Didehydro-1,2,7',8',11',12'-hexahydro-1-methoxy-ψ,ψ-carotene
- Molecular formula
- C41H62O
- Molecular weight
- 570.93038
Names & synonyms
11',12'-DihydrospheroideneSCHEMBL2838750LMPR010704331-Methoxy-3,4-didehydro-1,2,7',8',11',12'-hexahydro-psi,psi-carotene3,4-Didehydro-1,2,7',8',11',12'-hexahydro-1-methoxy-ψ,ψ-carotene
Database identifiers
- CAS
22076-59-1- PubChem CID
- 87443700
- Nikkaji
- J16.574C
Properties
Computed structural properties
- XLogP
- 14.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 19
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,110
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
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Compound notes
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