Heliangin
precursor
Showing entry for Heliangin
Identification
- PhytoHub ID
- PHUB000127
- Name
- Heliangin
- Synonyms
- Heliangine
- CAS Number
- Not Available
- Average Mass
- 362.422
- Monoisotopic Mass
- 362.172938557
- Chemical Formula
- C20H26O6
- IUPAC Name
- heliangin
- InChI Key
- DZTWAOVNNLDWNH-AUWKULLQSA-N
- InChI Identifier
InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1
- SMILES
C\C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@H](O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 2.96e-01 g/l
- LogS (ALOGPS)
- -3.09
- LogP (ALOGPS)
- 1.45
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 3
- Polar Surface Area
- 85.36000000000001
- Refractivity
- 95.5357
- Polarizability
- 37.7674521976495
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -3.006825452782963
- pKa (strongest acidic)
- 14.524404543248814
External Links
- ChEBI
- 5638
- PubChem
- 9998730
- Chemistry Dashboard
- DTXSID10433966
Taxonomy
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Jerusalem artichoke | Vegetables, Tubers | Publications | Show | |
| Spinach | Vegetables, Leaf vegetables | Publications | Show | |
| Sunflower | Oilseed crops | Publications | Show |
Metabolism
No metabolism information available
Heliangin