Identification

PhytoHub ID
PHUB000471
Name
Campestanol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
402.707
Monoisotopic Mass
402.38616623
Chemical Formula
C28H50O
IUPAC Name
(7S,9aS,11aR)-1-[(2R,5R)-5,6-dimethylheptan-2-yl]-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
InChI Key
ARYTXMNEANMLMU-KNITZWOBNA-N
InChI Identifier
InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21?,22+,23?,24?,25?,26?,27+,28-/s2
SMILES
CC(C)[[email protected]](C)CC[[email protected]@H](C)C1CCC2C3CCC4C[[email protected]@H](O)CC[[email protected]]4(C)C3CC[[email protected]]12C
Structure

Calculated Properties

Solubility (ALOGPS)
1.31e-05 g/l
LogS (ALOGPS)
-7.49
LogP (ALOGPS)
6.86
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
5
Polar Surface Area
20.23
Refractivity
124.31509999999996
Polarizability
52.68804559458494
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3569562491413656
pKa (strongest acidic)
18.296396321121705
Number of Rings
4
Rule of Five
No
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
Yes
MDDR-like Rule
No

Taxonomy

Family
Terpenoids
Class
Phytosterols
Sub-class
Not Available

Spectra

No spectra information available

Metabolism

No metabolism information available

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