Identification

PhytoHub ID
PHUB001459
Name
delta-5,24-Stigmastadienol
Synonyms
Not Available
CAS Number
Not Available
Average Mass
412.6908
Monoisotopic Mass
412.370516158
Chemical Formula
C29H48O
IUPAC Name
(2R,5S,15R)-14-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-ol
InChI Key
YYLFLRIUDMIWTD-JUTJDYIZSA-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/h10,20,23-27,30H,7-9,11-18H2,1-6H3/t20-,23+,24?,25?,26?,27?,28+,29-/m1/s1
SMILES
CCC(CC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)=C(C)C
Structure

Calculated Properties

Solubility (ALOGPS)
2.65e-04 g/l
LogS (ALOGPS)
-6.19
LogP (ALOGPS)
6.86
Hydrogen Acceptors
1
Hydrogen Donors
1
Rotatable Bond Count
5
Polar Surface Area
20.23
Refractivity
130.34949999999998
Polarizability
52.86012681364182
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-1.3972437702926293
pKa (strongest acidic)
18.20428950550382
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Taxonomy

Family
Not Available
Class
Not Available
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ApricotFruit, Drupes PublicationsShow

Metabolism

No metabolism information available

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