(S)-(+)-Ochracin

CAS	1200-93-7
Description	(S)-(+)-ochracin is a marine derived natural products found in Helicascus kanaloanus.
Synonyms	Mellein
IUPAC Name	8-Hydroxy-3-methyl-3,4-dihydroisochromen-1-one
Molecular Weight	178.18
Canonical SMILES	CC1CC2=C(C(=CC=C2)O)C(=O)O1
InChI	InChI=1S/C10H10O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4,6,11H,5H2,1H3
InChI Key	KWILGNNWGSNMPA-UHFFFAOYSA-N
Boiling Point	392.7±42.0 °C (lit.)
Melting Point	37-39 °C
Purity	95%+
Density	1.252±0.06 g/cm³
Complexity	214
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	178.062994177
Heavy Atom Count	13
Monoisotopic Mass	178.062994177
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	46.5 Ų