precursor
Showing entry for Carotene-delta
Identification
- PhytoHub ID
- PHUB000467
- Name
- Carotene-delta
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 536.888
- Monoisotopic Mass
- 536.438201803
- Chemical Formula
- C40H56
- IUPAC Name
- delta-carotene
- InChI Key
- WGIYGODPCLMGQH-GOXCNPTKSA-N
- InChI Identifier
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
- SMILES
CC(C)=CCC\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\[C@H]1C(C)=CCCC1(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 3.39e-04 g/l
- LogS (ALOGPS)
- -6.20
- LogP (ALOGPS)
- 9.50
- Hydrogen Acceptors
- 0
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 13
- Polar Surface Area
- 0.0
- Refractivity
- 194.97550000000007
- Polarizability
- 72.58933668248676
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
External Links
- PubChem
- 5281230
Taxonomy
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
No metabolism information available