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Pseudolaric acid A

CAT: 0013-GTR19169341-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169341-05Size:25 mg
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Description
Pseudolaric acid A and its analog Pseudolaric acid B are bioactive diterpenoids known to inhibit the proliferation of specific cancer cell lines. Research applications include investigating their mechanisms of action, such as tubulin polymerization inhibition, in both in vitro cellular assays and in vivo preclinical models for oncology.
CAS Number
82508-32-5
Product Name Alternative
Pseudolaric acid A, Fungal, Inhibitor, inhibit, NSC 615487, NSC615487, NSC-615487
Field of Research
Infectious Disease & Virology
Purity
99.91% (May vary between batches)
Solubility
DMSO:45 mg/mL (115.85 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.15 mM)
Smiles
CC (=O) O[C@@]12CCC (C) =CC[C@]11CC[C@H]2[C@@] (C) (OC1=O) \C=C\C=C (/C) C (O) =O
Molecular Formula
C22H28O6
Molecular Weight
388.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pseudolaric Acid A

(2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0¹,⁷]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid has been reported in Pseudolarix amabilis and Larix kaempferi with data available.

CAS Number82508-32-5
PubChem CID6436278
IUPAC Name(2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
Molecular FormulaC22H28O6
Molecular Weight388.5
XLogP2.7
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity806
SMILES
CC1=CC[C@]23CC[C@H]([C@]2(CC1)OC(=O)C)[C@@](OC3=O)(C)/C=C/C=C(\C)/C(=O)O
InChI
InChI=1S/C22H28O6/c1-14-7-11-21-12-9-17(22(21,13-8-14)27-16(3)23)20(4,28-19(21)26)10-5-6-15(2)18(24)25/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,24,25)/b10-5+,15-6+/t17-,20+,21+,22-/m0/s1
InChIKey
GOHMRMDXUXWCDQ-MPVZDDSSSA-N
Chemical Structure
2D Structure
2D structure of Pseudolaric Acid A
CAS: 82508-32-5
CID: 6436278
Formula: C22H28O6
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass388.18858861
Monoisotopic Mass388.18858861
Topological Polar Surface Area89.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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N2167-20Pseudolaric acid A
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