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Phenylpyropene A

CAT: 0013-GTR19190539-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190539-02Size:5 mg
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Description
Phenylpyropene A is a fungal metabolite with insecticidal activity and inhibitory effects on enzymes such as ACAT and DGAT. It is a valuable research tool for studying lipid metabolism and has demonstrated efficacy in both in vitro assays and in vivo insect mortality studies.
CAS Number
189564-20-3
Field of Research
Metabolism Research
Smiles
[H][C@@]12C[C@H] (OC (C) =O) [C@@]3 (C) Oc4cc (oc (=O) c4[C@H] (O) [C@]3 ([H]) [C@@]1 (C) CC[C@H] (OC (C) =O) [C@@]2 (C) COC (C) =O) -c1ccccc1
Molecular Formula
C32H38O10
Molecular Weight
582.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phenylpyropene A

Phenylpyropene A is a 1-hydroxy steroid.

CAS Number189564-20-3
PubChem CID11801392
IUPAC Name[(1S,2S,5S,6R,7R,9S,10S,18R)-5,9-diacetyloxy-18-hydroxy-2,6,10-trimethyl-16-oxo-14-phenyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl acetate
Molecular FormulaC32H38O10
Molecular Weight582.6
XLogP3.5
Topological Polar Surface Area135
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity1210
SMILES
CC(=O)OC[C@@]1([C@H](CC[C@]2([C@H]1C[C@@H]([C@@]3([C@@H]2[C@H](C4=C(O3)C=C(OC4=O)C5=CC=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C
InChI
InChI=1S/C32H38O10/c1-17(33)38-16-31(5)23-15-25(40-19(3)35)32(6)28(30(23,4)13-12-24(31)39-18(2)34)27(36)26-22(42-32)14-21(41-29(26)37)20-10-8-7-9-11-20/h7-11,14,23-25,27-28,36H,12-13,15-16H2,1-6H3/t23-,24+,25+,27+,28-,30+,31+,32-/m1/s1
InChIKey
QHPKCPGUVVWHPW-QQJWEHFTSA-N
Chemical Structure
2D Structure
2D structure of Phenylpyropene A
CAS: 189564-20-3
CID: 11801392
Formula: C32H38O10
MW: 582.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass582.24649740
Monoisotopic Mass582.24649740
Topological Polar Surface Area135 Ų
Heavy Atom Count42
Formal Charge0
Complexity1210
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

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