Description
Stachartin E is produced in the cultures of the tin mine tailings-associated fungus Stachybotrys chartarum.
Synonyms
Stachybotrylactone E
IUPAC Name
methyl 2-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-3-phenylpropanoate
Molecular Formula
C33H41NO6
Canonical SMILES
CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CN(C5=O)C(CC6=CC=CC=C6)C(=O)OC)O)C)O)(C)C
InChI
InChI=1S/C33H41NO6/c1-19-11-12-26-31(2,3)27(36)13-14-32(26,4)33(19)17-22-25(35)16-21-23(28(22)40-33)18-34(29(21)37)24(30(38)39-5)15-20-9-7-6-8-10-20/h6-10,16,19,24,26-27,35-36H,11-15,17-18H2,1-5H3/t19-,24?,26+,27-,32+,33-/m1/s1
InChIKey
ZWJSTYLVFXSIFD-HRCJXWJQSA-N
Boiling Point
721.1±60.0°C (Predicted)
Density
1.29±0.1 g/cm3 (Predicted)
Solubility
Soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone