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Chemical structure of cis-Emodin bianthrone

GC71967

cis-Emodin bianthrone

Also known as (10R)-1,3,8-trihydroxy-6-methyl-10-[(9S)-2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-10H-anthracen-9-one

Cis-Emodin bianthrone (compound 4) is a highly condensed oxygen of emodin anthrone

ChemicalCAS61281-19-4MW510.49FormulaC30H22O8
CAS number
61281-19-4
Molecular weight
510.49
Formula
C30H22O8
Solubility
Methanol ： 5·1 mg/mL (9·99 mM; Need ultrasonic and warming)
InChIKey
UUXPVUHOWQPCSC-PSWAGMNNSA-N
Catalogue number
GC71967
Brand
GLPBIO
Computed properties PubChem CID 12096289 · XLogP 5.8 · TPSA 156 Ų · H-bond donors 6
XLogP
5.8
TPSA
156 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
38

SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C=C(C=C6O)O)C=C(C=C3O)O

Computed descriptors from PubChem (CID 12096289), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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