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Chemical structure of Diacetylcercosporin

GC43436

Diacetylcercosporin

Also known as [(2S)-1-[21-[(2S)-2-acetyloxypropyl]-7,19-dihydroxy-6,20-dimethoxy-9,17-dioxo-12,14-dioxahexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1,3(8),4,6,10,15,18(23),19,21-nonaen-5-yl]propan-2-yl] acetate

Diacetylcercosporin is a perylenequinone produced by Cercospora and Septoria that has diverse biological activities

ChemicalCAS62574-06-5MW618.6FormulaC33H30O12
CAS number
62574-06-5
Molecular weight
618.6
Formula
C33H30O12
Solubility
Soluble in DMSO
InChIKey
JQHGSMOYNPGRFL-STQMWFEESA-N
Catalogue number
GC43436
Brand
GLPBIO
Computed properties PubChem CID 137700127 · XLogP 5.2 · TPSA 164 Ų · H-bond donors 2
XLogP
5.2
TPSA
164 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
45

SMILES C[C@@H](CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=O)C=C6OCOC5=CC4=O)C(=C1OC)O)O)OC)C[C@H](C)OC(=O)C)OC(=O)C

Computed descriptors from PubChem (CID 137700127), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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