Description
Stachartin C is produced in the cultures of the tin mine tailings-associated fungus Stachybotrys chartarum.
Synonyms
Stachybotrylactone C
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-methylbutanoate
Molecular Formula
C29H41NO6
Canonical SMILES
CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CN(C5=O)C(C(C)C)C(=O)OC)O)C)O)(C)C
InChI
InChI=1S/C29H41NO6/c1-15(2)23(26(34)35-7)30-14-19-17(25(30)33)12-20(31)18-13-29(36-24(18)19)16(3)8-9-21-27(4,5)22(32)10-11-28(21,29)6/h12,15-16,21-23,31-32H,8-11,13-14H2,1-7H3/t16-,21+,22-,23?,28+,29-/m1/s1
InChIKey
JKWMAZXFGSTHBM-NDVPSALTSA-N
Boiling Point
655.3±55.0°C (Predicted)
Density
1.25±0.1 g/cm3 (Predicted)
Solubility
Soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone