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Pseudolaric acid D

CAT: 0013-GTR19180755Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19180755Size:25 mg
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Description
Pseudolaric acid D (CAS 115028-67-6) is a natural diterpenoid used in life science research. It has demonstrated activity in both in vitro and in vivo studies, making it a compound of interest for investigating mechanisms in areas such as oncology and inflammation.
CAS Number
115028-67-6
Smiles
C[C@]1 (CO) CCC[C@@]2 (C) [C@@H]3CC[C@@H]4C[C@@]3 (CC[C@H]12) C=C4C (O) =O
Molecular Formula
C20H30O3
Molecular Weight
318.457
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pseudolaric acid D

(1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-14-carboxylic acid has been reported in Pseudolarix amabilis and Larix kaempferi with data available.

CAS Number115028-67-6
PubChem CID91895324
IUPAC Name(1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP4.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity567
SMILES
C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C4)C(=O)O)C)CO
InChI
InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1
InChIKey
WUENWZUJMIZJPA-UBTCDGAASA-N
Chemical Structure
2D Structure
2D structure of Pseudolaric acid D
CAS: 115028-67-6
CID: 91895324
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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