Basic information
- CAS
16910-92-2- Standard SMILES
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C- InChIKey
OENHQHLEOONYIE-UHFFFAOYSA-N- Molecular formula
- C40H56
- Average molar mass
- 536.9 g/mol
- Monoisotopic mass
- 536.43820179
Overview
beta,beta-carotene, neo D- has been reported in Corbicula sandai, Corbicula japonica, and other organisms with data available.
Names & identifiers
- Preferred name
- Neo-beta-carotene
- IUPAC
- 1,3,3-trimethyl-2-[3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
- English name
- cis-b,b-Carotene
- Molecular formula
- C40H56
- Molecular weight
- 536.89
Names & synonyms
Neo-beta-caroteneRefChem:109230668295-84-1Provitamin A; beta-Caroteneb-CaroteneProvitamin A1(3)U-Carotene?-Carotene-d1013-cis-b-CaroteneSpectrum_000241Beta carotene Food gradeSpectrum2_001256
Show more names
Cis-β-carotenecis-b,b-Caroteneβ,β-Carotene, cis-
Spectrum3_001732Spectrum4_001803beta,beta-Carotene, neo D-KBioGR_002409KBioSS_000721DivK1c_000330SPBio_001192SCHEMBL2300399
Database identifiers
- CAS
16910-92-2、30430-49-0- PubChem CID
- 573
- DTXSID
DTXSID40860004- ChEMBL
CHEMBL1231255
Properties
Computed structural properties
- XLogP
- 13.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 654.7 · 654.7±22.0 °C(Predicted)
- Density
- 0.941 · 0.941±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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