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Chemical structure of 3,29-O-Dibenzoyloxykarounidiol

GC60490

3,29-O-Dibenzoyloxykarounidiol

Also known as [(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-benzoyloxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,3,4,5,6,8,8a,10,11,12,14,14b-dodecahydropicen-2-yl]methyl benzoate

3,29-O-Dibenzoyloxykarounidiol (Karounidiol dibenzoate) is a triterpene benzoate isolated from the fruit of Momordica grosvenori

ChemicalCAS389122-01-4MW648.91FormulaC44H56O4
CAS number
389122-01-4
Molecular weight
648.91
Formula
C44H56O4
Solubility
Ethanol ： 2 mg/mL (3·08 mM; ultrasonic and warming and heat to 60°C)
InChIKey
RTSZUVCSDUONDF-GJSTXJOSSA-N
Catalogue number
GC60490
Brand
GLPBIO
Computed properties PubChem CID 10919365 · XLogP 11.4 · TPSA 52.6 Ų · H-bond donors 0
XLogP
11.4
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
48

SMILES C[C@]12CC[C@@](C[C@H]1[C@@]3(CC=C4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)C6=CC=CC=C6)C)[C@]3(CC2)C)C)(C)COC(=O)C7=CC=CC=C7

Computed descriptors from PubChem (CID 10919365), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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