Products for Research Use Only
RegisterLogin

Ingenol 3,20-dibenzoate

CAT: 1106-BML-PE186-0001Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1106-BML-PE186-0001Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
59086-90-7
Product Name Alternative
IDB
Certification
RUO
Target
PKC
Type
Activator
Stability
As indicated on product label or CoA when stored as recommended. Stable for at least 1 year after receipt when stored, as supplied, at -20°C. Stock solutions are stable for up to 3 months at -20°C.
Purity
≥97%
Solubility
Soluble in DMSO (20mg/ml) or ethanol (20mg/ml) .
Molecular Formula
C 34 H 36 O 7
Molecular Weight
556.7
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Appearance
White solid.

Chemical Information

Ingenol 3,20-dibenzoate

Ingenol 3,20-dibenzoate is a benzoate ester.

CAS Number59086-90-7
PubChem CID442043
IUPAC Name[(1S,4S,5S,6R,9S,10R,12R,14R)-4-benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate
Molecular FormulaC34H36O7
Molecular Weight556.6
XLogP4.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1160
SMILES
C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
InChI
InChI=1S/C34H36O7/c1-19-17-33-20(2)15-25-26(32(25,3)4)24(28(33)36)16-23(18-40-30(37)21-11-7-5-8-12-21)27(35)34(33,39)29(19)41-31(38)22-13-9-6-10-14-22/h5-14,16-17,20,24-27,29,35,39H,15,18H2,1-4H3/t20-,24+,25-,26+,27-,29+,33+,34+/m1/s1
InChIKey
GIMKEHNOTHXONN-NXBFFCPZSA-N
Chemical Structure
2D Structure
2D structure of Ingenol 3,20-dibenzoate
CAS: 59086-90-7
CID: 442043
Formula: C34H36O7
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass556.24610348
Monoisotopic Mass556.24610348
Topological Polar Surface Area110 Ų
Heavy Atom Count41
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
ALX-350-031-M005Ingenol (high purity)
BML-PG040-00502,3-Dinor-6-keto-prostaglandin F1α-20,20,20-d3
BML-LE504-0050Leukotriene E4-20,20,20-d3
TOP-TG4065Sarkosyl (20%)
ALX-370-012-M05020-Hydroxyecdysone
ALX-370-012-M00520-Hydroxyecdysone
JBS-FP-189-205′ Fluo / 3′ TAMRA (20 to 29 nmol)
JBS-FP-192-205′ Fluo / 3′ ECLIPSE (20 to 29 nmol)
JBS-FP-193-205′ Fluo / 3′ DABCYL (20 to 29 nmol)
JBS-FP-184-205′ FITC / 3′ TAMRA (20 to 29 nmol)

Alternative Products

CatalogName
T35895-01Ingenol 3,20-dibenzoate
MBS5762550Ingenol 20-palmitate
CDA76921-01Ingenol-3,4:5,20-diacetonide
452381Ingenol 5,20-Acetonide
HY-N0869-01Ingenol-5,20-acetonide
HY-N0871-01Ingenol-3,4,5,20-diacetonide

Popular Products