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Chemical structure of Ingenol-3,4,5,20-diacetonide

GC33528

Ingenol-3,4,5,20-diacetonide

Also known as 3,6,6,11,11,18,18,21-octamethyl-5,7,10,12-tetraoxahexacyclo[14.5.1.01,8.04,8.09,14.017,19]docosa-2,14-dien-22-one

Ingenol-3,4,5,20-diacetonide is a natural compound

ChemicalCAS77573-44-5MW428.56FormulaC26H36O5
CAS number
77573-44-5
Molecular weight
428.56
Formula
C26H36O5
Solubility
DMSO ： 16·67 mg/mL (38·90 mM; ultrasonic and warming and heat to 80°C)
InChIKey
JOKBBQPBIIZMJV-UHFFFAOYSA-N
Catalogue number
GC33528
Brand
GLPBIO
Computed properties PubChem CID 157081 · XLogP 2.8 · TPSA 54 Ų · H-bond donors 0
XLogP
2.8
TPSA
54 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
31

SMILES CC1CC2C(C2(C)C)C3C=C4COC(OC4C56C1(C3=O)C=C(C5OC(O6)(C)C)C)(C)C

Computed descriptors from PubChem (CID 157081), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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