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Pseudolaric Acid C2

CAT: 0931-T13851-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T13851-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
82508-35-8
Target
Others
Related Pathways
Others
Purity
0.9947
Bioactivity
Pseudolaric Acid C2 is a diterpenoid isolated from Pseudolarix kaempferi.
Smiles
[H][C@@]12CC[C@]3(CC=C(CC[C@]13OC(C)=O)C(O)=O)C(=O)O[C@]2(C)\C=C\C=C(/C)C(O)=O
Molecular Formula
C22H26O8
Molecular Weight
418.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pseudolaric Acid C2

pseudolaric acid C2 has been reported in Pseudolarix amabilis and Larix kaempferi with data available.

CAS Number82508-35-8
PubChem CID6475945
IUPAC Name(1R,7S,8S,9R)-7-acetyloxy-9-[(1E,3E)-4-carboxypenta-1,3-dienyl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid
Molecular FormulaC22H26O8
Molecular Weight418.4
XLogP2
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity897
SMILES
C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)O)OC(=O)C)C(=O)O1)C)/C(=O)O
InChI
InChI=1S/C22H26O8/c1-13(17(24)25)5-4-9-20(3)16-8-11-21(19(28)30-20)10-6-15(18(26)27)7-12-22(16,21)29-14(2)23/h4-6,9,16H,7-8,10-12H2,1-3H3,(H,24,25)(H,26,27)/b9-4+,13-5+/t16-,20+,21+,22-/m0/s1
InChIKey
ZPSQWDVEMDWXPJ-HPHAYBORSA-N
Chemical Structure
2D Structure
2D structure of Pseudolaric Acid C2
CAS: 82508-35-8
CID: 6475945
Formula: C22H26O8
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass418.16276778
Monoisotopic Mass418.16276778
Topological Polar Surface Area127 Ų
Heavy Atom Count30
Formal Charge0
Complexity897
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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