Spiculisporic Acid

CAS	469-77-2
Structure
Description	Spiculisporic acid is a bioactive γ-butenolide isolated from a marine Aspergillus.
Synonyms	(S)-2-((S)-1-Carboxyundecyl)-5-oxotetrahydrofuran-2-carboxylic acid
IUPAC Name	2-(1-Carboxyundecyl)-5-oxooxolane-2-carboxylic acid
Molecular Weight	328.4
Molecular Formula	C17H28O6
Canonical SMILES	CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O
InChI	InChI=1S/C17H28O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h13H,2-12H2,1H3,(H,19,20)(H,21,22)
InChI Key	TUXHHVJPGQUPCF-UHFFFAOYSA-N
Boiling Point	549.0±35.0 °C
Melting Point	145 °C
Purity	95%+
Density	1.163±0.06 g/cm³
Complexity	419
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	328.18858861
Heavy Atom Count	23
Monoisotopic Mass	328.18858861
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	101 Ų