Armillarivin
[CAS# 135247-97-1]

Identification

• Name: Armillarivin
• Synonyms: Benzoic Acid, 2,4-Dihydroxy-6-Methyl-, 3-Formyl-2,2A,4A,5,6,7,7A,7B-Octahydro-6,6,7B-Trimethyl-1H-Cyclobut(E)Inden-2-Yl Ester, (2Alpha,2Abeta,4Aalpha,7Aalpha,7Bbeta)-(+)-
• Molecular Formula: C₂₃H₂₈O₅
• Molecular Weight: 384.47
• CAS Registry Number: 135247-97-1
• SMILES: [C@]23([C@@H]([C@H](OC(=O)C1=C(C=C(O)C=C1O)C)C2)C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)C
• InChI: 1S/C23H28O5/c1-12-5-15(25)7-17(26)19(12)21(27)28-18-10-23(4)16-9-22(2,3)8-13(16)6-14(11-24)20(18)23/h5-7,11,13,16,18,20,25-26H,8-10H2,1-4H3/t13-,16+,18-,20-,23-/m1/s1
• InChIKey: NFCOJBIECSQMAM-JQISRXLJSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 543.254°C at 760 mmHg (Cal.)
• Flash point: 185.812°C (Cal.)