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Chemical structure of Ceanothic acid

GC65347

Ceanothic acid

Also known as (1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid

Ceanothic acid (Emmolic acid) is a ring-A homologue of betulinic acid· Ceanothic acid inhibits OVCAR-3, HeLa, and FS-5 cells with the cell survival of 68%, 65%, and 81%, respectively

ChemicalCAS21302-79-4MW486.68FormulaC30H46O5
CAS number
21302-79-4
Molecular weight
486.68
Formula
C30H46O5
InChIKey
WLCHQSHZHFLMJH-VILVJDKQSA-N
Catalogue number
GC65347
Brand
GLPBIO
Computed properties PubChem CID 161352 · XLogP 7.6 · TPSA 94.8 Ų · H-bond donors 3
XLogP
7.6
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
35

SMILES CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@H]([C@@H](C5(C)C)O)C(=O)O)C)C)C(=O)O

Computed descriptors from PubChem (CID 161352), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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