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Chemical structure of Neosartoricin

GC48484

Neosartoricin

Also known as [(2S,3R)-3,6,8,9-tetrahydroxy-3-[(Z)-2-hydroxy-4-oxopent-2-enyl]-10-(3-methylbut-2-enyl)-1-oxo-2,4-dihydroanthracen-2-yl] acetate

A prenylated tricyclic polyketide

ChemicalCAS1421941-29-8MW484.5FormulaC26H28O9
CAS number
1421941-29-8
Molecular weight
484.5
Formula
C26H28O9
InChIKey
KVVYTLCXDTXZPI-UBIAWGELSA-N
Catalogue number
GC48484
Brand
GLPBIO
Computed properties PubChem CID 71296182 · XLogP 4 · TPSA 162 Ų · H-bond donors 5
XLogP
4
TPSA
162 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
35

SMILES CC(=CCC1=C2C=C(C=C(C2=C(C3=C1C[C@]([C@@H](C3=O)OC(=O)C)(C/C(=C/C(=O)C)/O)O)O)O)O)C

Computed descriptors from PubChem (CID 71296182), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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