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
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Jerusalem artichokeVegetables, Tubers PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow
SunflowerOilseed crops PublicationsShow

Metabolism

No metabolism information available

Back