1.0
2010-04-08 22:05:11 UTC
2019-11-26 02:56:49 UTC
FDB001959
beta-Sitosterol acetate
Constituent of pods of kiker (Acacia leucophloea). beta-Sitosterol acetate is found in pulses.
β-Sitosterol 3-acetate
β-sitosterol acetate
β-sitosterol, acetate
β-sitosteryl acetate
β-stitosteryl acetate
3β-Acetoxystigmast-5-ene
3beta -Acetoxystigmast-5-ene
3beta-Acetoxystigmast-5-ene
Acetyl-β-sitosterol
Acetyl-beta -sitosterol
Acetyl-beta-sitosterol
b-Sitosterol acetate
beta -Sitosterol 3-acetate
beta -Sitosterol acetate
beta -Sitosterol, acetate
beta -Sitosteryl acetate
beta -Stitosteryl acetate
beta-Sitosterol 3-acetate
Beta-sitosterol acetate
Beta-sitosteryl acetate
Sitosterol acetate
Sitosterol,β, acetate
Sitosterol,beta , acetate
Sitosterol,beta, acetate
Sitosteryl acetate
Stigmast-5-en-3-beta-yl acetate
Stigmast-5-en-3-ol, acetate
Stigmast-5-en-3-ol, acetate (8CI)
Stigmast-5-en-3-ol, acetate, (3β)-
Stigmast-5-en-3-ol, acetate, (3beta)- (9CI)
Stigmast-5-en-3-yl acetate
Stigmast-5-en-3β-ol, acetate
Stigmast-5-en-3β-yl acetate
Stigmast-5-en-3beta -ol, acetate
Stigmast-5-en-3beta -yl acetate
Stigmast-5-en-3beta-ol, acetate
Stigmast-5-en-3beta-yl acetate
C31H52O2
456.7434
456.396730908
14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl acetate
14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl acetate
915-05-9
CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C
InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3
PBWOIPCULUXTNY-UHFFFAOYSA-N
belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
Triterpenoids
Organic compounds
Lipids and lipid-like molecules
Prenol lipids
Triterpenoids
Aliphatic homopolycyclic compounds
C24-propyl sterols and derivatives
Carbonyl compounds
Carboxylic acid esters
Delta-5-steroids
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Steroid esters
Aliphatic homopolycyclic compound
C24-propyl-sterol-skeleton
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Delta-5-steroid
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Steroid
Steroid ester
Triterpenoid
logp
7.71
ALOGPS
logs
-7.67
ALOGPS
solubility
9.78e-06 g/l
ALOGPS
melting_point
Mp 134°
logp
8.29
ChemAxon
pka_strongest_basic
-7
ChemAxon
iupac
14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl acetate
ChemAxon
average_mass
456.7434
ChemAxon
mono_mass
456.396730908
ChemAxon
smiles
CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C
ChemAxon
formula
C31H52O2
ChemAxon
inchi
InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3
ChemAxon
inchikey
PBWOIPCULUXTNY-UHFFFAOYSA-N
ChemAxon
polar_surface_area
26.3
ChemAxon
refractivity
138.92
ChemAxon
polarizability
58.38
ChemAxon
rotatable_bond_count
8
ChemAxon
acceptor_count
1
ChemAxon
donor_count
0
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::CMs
15457
Specdb::CMs
164027
Specdb::MsMs
71526
Specdb::MsMs
71527
Specdb::MsMs
71528
Specdb::MsMs
130224
Specdb::MsMs
130225
Specdb::MsMs
130226
Specdb::MsMs
2429542
Specdb::MsMs
2429543
Specdb::MsMs
2429544
Specdb::MsMs
2506148
Specdb::MsMs
2506149
Specdb::MsMs
2506150
HMDB30151
#<Reference:0x000055ce32084638>
Pulses
Unknown
generic