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Pseudolaric acid B

CAT: 0498-bs-75073C-01Size: 100 µgDry Ice: NoHazardous: No
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CAT#:0498-bs-75073C-01Size:100 µg
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CAS Number
82508-31-4
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO, ethanol, methanol or chloroform.
Smiles
[H][C@@]12CC[C@]3(CC=C(CC[C@]13OC(C)=O)C(=O)OC)C(=O)O[C@]2(C)\C=C\C=C(/C)C(O)=O
Molecular Formula
C23H28O8
Molecular Weight
432.5
Storage Conditions
Stable for 2 years after receipt when stored at +4°C.
Appearance
White to off-white solid.

Chemical Information

Pseudolaric Acid B

(2E,4E)-5-[(1R,7S,8S,9R)-7-(acetyloxy)-4-(methoxycarbonyl)-9-methyl-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 Number82508-31-4
PubChem CID6475943
IUPAC Name(2E,4E)-5-[(1R,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid
Molecular FormulaC23H28O8
Molecular Weight432.5
XLogP2.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity913
SMILES
C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O
InChI
InChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22+,23-/m0/s1
InChIKey
VDGOFNMYZYBUDT-YDRCMHEVSA-N
Chemical Structure
2D Structure
2D structure of Pseudolaric Acid B
CAS: 82508-31-4
CID: 6475943
Formula: C23H28O8
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass432.17841785
Monoisotopic Mass432.17841785
Topological Polar Surface Area116 Ų
Heavy Atom Count31
Formal Charge0
Complexity913
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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