Identification

PhytoHub ID
PHUB000474
Name
Cycloartenol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
426.729
Monoisotopic Mass
426.38616623
Chemical Formula
C30H50O
IUPAC Name
(1S,3R,6S,8R,12S,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol
InChI Key
ONQRKEUAIJMULO-VFTSYHOTSA-N
InChI Identifier
InChI=1S/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3/t21?,22?,23-,24?,25-,27+,28-,29+,30-/m0/s1
SMILES
[H][C@@]12CCC3[C@@]4(C[C@]14CC[C@H](O)C2(C)C)CC[C@]1(C)C(CC[C@@]31C)C(C)CCC=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
3.56e-05 g/l
LogS (ALOGPS)
-7.08
LogP (ALOGPS)
6.66
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
4
Polar Surface Area
20.23
Refractivity
132.0332
Polarizability
54.39191642853433
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-0.8351325136321267
pKa (strongest acidic)
19.489408976606935
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Taxonomy

Family
Terpenoids
Class
Phytosterols
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
PeanutNuts PublicationsShow
RiceCereals and cereal products PublicationsShow

Metabolism

No metabolism information available

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