Identification

PhytoHub ID
PHUB000480
Name
Spinasterol-alpha
Synonyms
  • Bessisterol
  • Chondrillasterol
  • Spinasterin-alpha
CAS Number
Not Available
Average Mass
412.702
Monoisotopic Mass
412.370516166
Chemical Formula
C29H48O
IUPAC Name
(2S,5S,7S,15R)-14-[(2R,3E,5S)-5-ethyl-6-methylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol
InChI Key
JZVFJDZBLUFKCA-JWSROWKMSA-N
InChI Identifier
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,25?,26?,27?,28+,29-/m1/s1
SMILES
[H][C@@]12CC=C3C4CCC([C@H](C)\C=C\[C@@H](CC)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2
Structure

Calculated Properties

Solubility (ALOGPS)
3.40e-05 g/l
LogS (ALOGPS)
-7.08
LogP (ALOGPS)
7.46
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
5
Polar Surface Area
20.23
Refractivity
130.88269999999997
Polarizability
52.65966757783515
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3283583703607977
pKa (strongest acidic)
18.361777845540015
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Taxonomy

Family
Terpenoids
Class
Phytosterols
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
JP002698MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009475MassBankEI-B Spectrum - -, [M]+*View Spectra
JP009476MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

NameGroup
AlfalfaHerbs and Spices PublicationsShow
Peanut butterFats and oils PublicationsShow
SpinachVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

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