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Chemical structure of 3α-Angeloyloxypterokaurene L3

GC76304

3α-Angeloyloxypterokaurene L3

Also known as (1S,4S,5S,6R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

3α-Angeloyloxypterokaurene L3 is a Diterpenoids product that can be isolated from the herbs of Wedelia trilobata

ChemicalCAS79406-11-4MW416.55FormulaC25H36O5
CAS number
79406-11-4
Molecular weight
416.55
Formula
C25H36O5
InChIKey
OMEDWFNWWHKRJU-UWZXKBJASA-N
Catalogue number
GC76304
Brand
GLPBIO
Computed properties PubChem CID 91886676 · XLogP 4.1 · TPSA 83.8 Ų · H-bond donors 2
XLogP
4.1
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES C/C=C(/C)\C(=O)O[C@@H]1CC[C@@]2([C@@H]([C@]1(C)C(=O)O)CC[C@]34[C@]2(CC[C@H](C3)C(=C)C4)O)C

Computed descriptors from PubChem (CID 91886676), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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