Armillaridin
[CAS# 96684-80-9]

Identification

• Name: Armillaridin
• Synonyms: Benzoic Acid, 3-Chloro-6-Hydroxy-4-Methoxy-2-Methyl-, 3-Formyl-2,2A,4A,5,6,7,7A,7B-Octahydro-2A-Hydroxy-6,6,7B-Trimethyl-1H-Cyclobut(E)Inden-2-Yl Ester, (2Alpha,2Abeta,4Aalpha,7Aalpha,7Bbeta)-(+)-
• Molecular Formula: C₂₄H₂₉ClO₆
• Molecular Weight: 448.94
• CAS Registry Number: 96684-80-9
• SMILES: [C@@]23([C@](O)([C@@H](OC(=O)C1=C(C(=C(OC)C=C1O)Cl)C)C2)C(=C[C@@H]4[C@H]3CC(C4)(C)C)C=O)C
• InChI: 1S/C24H29ClO6/c1-12-19(16(27)7-17(30-5)20(12)25)21(28)31-18-10-23(4)15-9-22(2,3)8-13(15)6-14(11-26)24(18,23)29/h6-7,11,13,15,18,27,29H,8-10H2,1-5H3/t13-,15+,18-,23-,24+/m0/s1
• InChIKey: QETHRCCHQRWBIJ-RJPCOFTLSA-N