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Chemical structure of 5,6-Epoxyergosterol

GC71879

5,6-Epoxyergosterol

Also known as (1S,2R,5S,7R,9S,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol

5,6-Epoxyergosterol is a natural product that can be isolated from endophytic fungus Phyllosticta capitalensis

ChemicalCAS23637-31-2MW412.65FormulaC28H44O2
CAS number
23637-31-2
Molecular weight
412.65
Formula
C28H44O2
InChIKey
KVMYKLHJBYIOKD-QYYFJRRUSA-N
Catalogue number
GC71879
Brand
GLPBIO
Computed properties PubChem CID 100938000 · XLogP 6.6 · TPSA 32.8 Ų · H-bond donors 1
XLogP
6.6
TPSA
32.8 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
30

SMILES C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@H]4[C@@]5([C@@]3(CC[C@@H](C5)O)C)O4)C

Computed descriptors from PubChem (CID 100938000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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