Identification

PhytoHub ID
PHUB000471
Name
Campestanol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
402.707
Monoisotopic Mass
402.38616623
Chemical Formula
C28H50O
IUPAC Name
(2S,5S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol
InChI Key
ARYTXMNEANMLMU-MATPTPAVSA-N
InChI Identifier
InChI=1S/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-/m1/s1
SMILES
CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@]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
52.695892401550516
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3569562491413656
pKa (strongest acidic)
18.296396321121705
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Taxonomy

Family
Terpenoids
Class
Phytosterols
Sub-class
Not Available

Spectra

No spectra information available

Metabolism

No metabolism information available

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