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Chemical structure of Enfumafungin

GC61518

Enfumafungin

Also known as (1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-acetyloxy-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid

Enfumafungin, a triterpene glycoside, is isolated from extracts derived from an endophytic species of Hormonema

ChemicalCAS260979-95-1MW708.88FormulaC38H60O12
CAS number
260979-95-1
Molecular weight
708.88
Formula
C38H60O12
Solubility
DMSO ： 100 mg/mL (141·07 mM; Need ultrasonic)
InChIKey
IAOFPTKYKOAKGZ-CRWQHXLTSA-N
Catalogue number
GC61518
Brand
GLPBIO
Computed properties PubChem CID 25229651 · XLogP 4 · TPSA 192 Ų · H-bond donors 6
XLogP
4
TPSA
192 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
50

SMILES C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC([C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC(=O)C)O)C)C)C

Computed descriptors from PubChem (CID 25229651), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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