Luisol A

CAS	225110-59-8
Structure
Description	Luisol A, an aromatic tetraol, is a major metabolite of an estuarine marine actinomycete of the genus Streptomyces.
Synonyms	rel-(-)-(4R,6S,6aR,7S,12R,12aS)-3,4,6,6a,7,12-Hexahydro-6a,7,8,12-tetrahydroxy-6-methyl-4,12a-methano-2H,12aH-naphtho[2,3-b]-1,5-dioxocin-2-one
IUPAC Name	(1S,2R,9S,10R,11S,13R)-2,7,9,10-Tetrahydroxy-11-methyl-12,16-dioxatetracyclo[11.3.1.01,10.03,8]heptadeca-3(8),4,6-trien-15-one
Molecular Weight	322.31
Molecular Formula	C16H18O7
Canonical SMILES	CC1C2(C(C3=C(C=CC=C3O)C(C24CC(O1)CC(=O)O4)O)O)O
InChI	InChI=1S/C16H18O7/c1-7-16(21)14(20)12-9(3-2-4-10(12)17)13(19)15(16)6-8(22-7)5-11(18)23-15/h2-4,7-8,13-14,17,19-21H,5-6H2,1H3/t7-,8-,13+,14-,15-,16-/m0/s1
InChI Key	YAYLZJMYAWCSFK-MAHXAKIKSA-N
Purity	95%+
Complexity	525
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	322.10525291
Heavy Atom Count	23
Isomeric SMILES	C[C@H]1[C@@]2([C@H](C3=C(C=CC=C3O)[C@H]([C@@]24C[C@@H](O1)CC(=O)O4)O)O)O
Monoisotopic Mass	322.10525291
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	116 Ų