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Chemical structure of Arjungenin

GC35393

Arjungenin

Also known as (1S,4aR,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Arjungenin, a triterpene isolated from Terminalia arjuna, is an insect feeding-deterrent and growth inhibitor

ChemicalCAS58880-25-4MW504.7FormulaC30H48O6
CAS number
58880-25-4
Molecular weight
504.7
Formula
C30H48O6
Solubility
DMSO ： 50 mg/mL (99·07 mM; Need ultrasonic)
InChIKey
IFIQVSCCFRXSJV-NWCCWSSZSA-N
Catalogue number
GC35393
Brand
GLPBIO
Computed properties PubChem CID 12444386 · XLogP 4.5 · TPSA 118 Ų · H-bond donors 5
XLogP
4.5
TPSA
118 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
36

SMILES C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C

Computed descriptors from PubChem (CID 12444386), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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