Identification

PhytoHub ID
PHUB000521
Name
24-Methylenecholestanol ferulate
Synonyms
Not Available
CAS Number
Not Available
Average Mass
576.862
Monoisotopic Mass
576.417860283
Chemical Formula
C38H56O4
IUPAC Name
2,15-dimethyl-14-(6-methyl-5-methylideneheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChI Key
DOIYKIUFHRPGDF-GZTJUZNOSA-N
InChI Identifier
InChI=1S/C38H56O4/c1-24(2)25(3)8-9-26(4)31-14-15-32-30-13-12-28-23-29(18-20-37(28,5)33(30)19-21-38(31,32)6)42-36(40)17-11-27-10-16-34(39)35(22-27)41-7/h10-11,16-17,22,24,26,28-33,39H,3,8-9,12-15,18-21,23H2,1-2,4-7H3/b17-11+
SMILES
COC1=CC(\C=C\C(=O)OC2CCC3(C)C(CCC4C5CCC(C(C)CCC(=C)C(C)C)C5(C)CCC34)C2)=CC=C1O
Structure

Calculated Properties

Solubility (ALOGPS)
3.19e-05 g/l
LogS (ALOGPS)
-7.26
LogP (ALOGPS)
7.44
Hydrogen Acceptors
3
Hydrogen Donors
1
Rotatable Bond Count
10
Polar Surface Area
55.760000000000005
Refractivity
172.1044
Polarizability
71.46302842283812
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.888802912333213
pKa (strongest acidic)
9.867764383831734
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Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Hydroxycinnamic acids

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

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