Stachartin A
[CAS# 1978388-54-3]

Identification

• Name: Stachartin A
• Synonyms: Stachybotrysin; 3-Buten-2-one, 4-[(1'R,2'R,4'aS,6'R,8'aS)-3',4',4'a,5',6',7',8',8'a-octahydro-4,6'-dihydroxy-6-(hydroxymethyl)-2',5',5',8'a-tetramethylspiro[benzofuran-2(3H), 1'(2'H)-naphthalen]-7-yl]-, (3E)-
• Molecular Formula: C₂₆H₃₆O₅
• Molecular Weight: 428.56
• CAS Registry Number: 1978388-54-3
• SMILES: CC1CCC2C(C(CCC2(C13CC4=C(C=C(C(=C4O3)C=CC(=O)C)CO)O)C)O)(C)C
• InChI: 1S/C26H36O5/c1-15-6-9-21-24(3,4)22(30)10-11-25(21,5)26(15)13-19-20(29)12-17(14-27)18(23(19)31-26)8-7-16(2)28/h7-8,12,15,21-22,27,29-30H,6,9-11,13-14H2,1-5H3/b8-7+/t15-,21+,22-,25+,26-/m1/s1
• InChIKey: WHSVMLKIVYFFBS-DTCCPBINSA-N

Properties

• Density: 1.22±0.1g/cm³ (Cal.)
• Boiling point: 617.3±55.0°C (Cal.)
• solubility: Soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone