Chaetoglobosin fex

CAS	149457-95-4
Description	Chaetoglobosin Fex from the marine-derived endophytic fungus inhibits induction of inflammatory mediators via Toll-like receptor 4 signaling in macrophages.
IUPAC Name	(1R,5S,7Z,9S,11E,13R,14S,16S,17R,18S)-5,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-7,11-diene-2,6,20-trione
Molecular Weight	530.7
Canonical SMILES	CC1CC=CC2C(C(=C)C(C3C2(C(=O)CCC(C(=O)C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)O
InChI	InChI=1S/C32H38N2O5/c1-17-8-7-10-23-30(38)20(4)19(3)28-25(15-21-16-33-24-11-6-5-9-22(21)24)34-31(39)32(23,28)27(36)13-12-26(35)29(37)18(2)14-17/h5-7,9-11,14,16-17,19,23,25-26,28,30,33,35,38H,4,8,12-13,15H2,1-3H3,(H,34,39)/b10-7+,18-14-/t17-,19+,23-,25-,26-,28-,30+,32+/m0/s1
InChI Key	UFMHUKPYQLJSOB-BOTXPQCZSA-N
Purity	95%+
Complexity	1080
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Exact Mass	530.27807232
Heavy Atom Count	39
Isomeric SMILES	C[C@H]/1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2(C(=O)CC[C@@H](C(=O)/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)O
Monoisotopic Mass	530.27807232
Physical State	Powder
Storage Conditions	Powder: -20°C for 3 years In solvent: -80°C for 2 years
Topological Polar Surface Area	120 Ų