Pteroidine

[(2S,3S,4R,5R,7S,8R,9S,11S,13S,14R,17R)-2,7,9-triacetyloxy-13-chloro-11-hydroxy-4,8,17-trimethyl-12-methylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-5-yl] acetate

Also Known As: Pteroidine|Pteroidin|(1R,3aR,4S,6S,8S,8aR,9S,11R,12R,12aS,13S)-4-chloro-6-hydroxy-1,8a,12-trimethyl-5-methylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate|4-Chloro-6-hydroxy-1,8a,12-trimethyl-5-methylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-8,9,11,13-tetrayl tetraacetate|5H-6,13a-Epoxybenzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 8,9,11,13-tetrakis(acetyloxy)-4-chlorododecahydro-6-hydroxy-1,8a,12-trimethyl-5-methylene-, (1R,3aR,4S,6S,8S,8aR,9S,11R,12R,12aS,13S,13aR)-

Molecular Formula	C28H37ClO12
Molecular Weight	600.1973 g/mol
LogP	1.7
Topological Polar Surface Area	161.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	600.1973
Monoisotopic Mass	600.1973
Heavy Atoms	41
Complexity	1170.0

Chemical Identifiers

CAS Number	90042-99-2
SMILES	C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1[C@@H](C34[C@H](C(=O)O[C@H]3[C@H](C(=C)[C@@](O4)(C[C@@H]2OC(=O)C)O)Cl)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChIKey	BAKGCTQQJJBYLU-XAIGFXQASA-N