Identification

PhytoHub ID
PHUB000472
Name
Campesterol
Synonyms
  • Campesterin
CAS Number
Not Available
Average Mass
400.6801
Monoisotopic Mass
400.370516158
Chemical Formula
C28H48O
IUPAC Name
(2R,5S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol
InChI Key
SGNBVLSWZMBQTH-MMTVXVTESA-N
InChI Identifier
InChI=1S/C28H48O/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/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23?,24?,25?,26?,27+,28-/m1/s1
SMILES
CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Structure

Calculated Properties

Solubility (ALOGPS)
2.19e-05 g/l
LogS (ALOGPS)
-7.26
LogP (ALOGPS)
6.81
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
5
Polar Surface Area
20.23
Refractivity
125.16509999999997
Polarizability
52.03796822481634
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3972437702926293
pKa (strongest acidic)
18.20428950550382
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Taxonomy

Family
Terpenoids
Class
Phytosterols
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP005750MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

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Metabolism

No metabolism information available

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