(-)-Cyclopenol

CAS	20007-85-6
Structure
Description	(-)-Cyclopenol is a fungal metabolite isolated from an Australian marine-derived isolate of Aspergillus versicolor (MST-MF495).
Synonyms	Cyclopenol
IUPAC Name	3'-(3-Hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Molecular Weight	310.3
Canonical SMILES	CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O
InChI	InChI=1S/C17H14N2O4/c1-19-15(21)12-7-2-3-8-13(12)18-16(22)17(19)14(23-17)10-5-4-6-11(20)9-10/h2-9,14,20H,1H3,(H,18,22)
InChI Key	BDDNYDPRCCDQQJ-UHFFFAOYSA-N
Boiling Point	633.2±55.0 °C
Melting Point	215 °C
Purity	95%+
Density	1.50±0.1 g/cm³
Complexity	525
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	310.09535693
Heavy Atom Count	23
Monoisotopic Mass	310.09535693
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	82.2 Ų