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Chemical structure of Rugulotrosin A

GC44854

Rugulotrosin A

Also known as methyl (4R,4aR)-7-[(5R,10aR)-1,5,9-trihydroxy-10a-methoxycarbonyl-3-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate

Rugulotrosin A is an antibiotic originally isolated from Penicillium

ChemicalCAS685135-81-3MW638.6FormulaC32H30O14
CAS number
685135-81-3
Molecular weight
638.6
Formula
C32H30O14
Solubility
Soluble in DMSO
InChIKey
FCBFXINPLHGRFE-OBXOASMOSA-N
Catalogue number
GC44854
Brand
GLPBIO
Computed properties PubChem CID 86346607 · XLogP 2.9 · TPSA 227 Ų · H-bond donors 6
XLogP
2.9
TPSA
227 Ų
H-bond donors
6
H-bond acceptors
14
Rotatable bonds
5
Heavy atoms
46

SMILES CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)O[C@]5([C@@H](CCC(=O)C5=C4O)O)C(=O)OC)O)O)C(=C6C(=O)CC[C@H]([C@@]6(O2)C(=O)OC)O)O

Computed descriptors from PubChem (CID 86346607), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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