Pilatin
[CAS# 119525-97-2]

Identification

• Name: Pilatin
• Synonyms: 2-Hexenoic Acid, 5A,7,8,8A-Tetrahydro-4-Formyl-3,5A-Dihydroxy-7,7-Dimethyl-1-Oxo-3H,6H-3A,8B-Methano-1H-Indeno(4,5-C)Furan-6-Yl Ester, (3S-(3Alpha,3Abeta,5Abeta,6Alpha(E),8Abeta,9Bbeta))-; Ccris 1704; Pilatin
• Molecular Formula: C₂₁H₂₆O₇
• Molecular Weight: 390.43
• CAS Registry Number: 119525-97-2
• SMILES: [C@@H]1(OC(C24C1(C(=C[C@@]3([C@H](OC(\C=C\CCC)=O)C(C[C@H]23)(C)C)O)C=O)C4)=O)O
• InChI: 1S/C21H26O7/c1-4-5-6-7-14(23)27-15-18(2,3)9-13-20-11-19(20,16(24)28-17(20)25)12(10-22)8-21(13,15)26/h6-8,10,13,15-16,24,26H,4-5,9,11H2,1-3H3/b7-6+/t13-,15-,16+,19?,20?,21-/m1/s1
• InChIKey: FGNPPWFDUWSHQL-PRGYMIKCSA-N

Properties

• Density: 1.364g/cm³ (Cal.)
• Boiling point: 606.281°C at 760 mmHg (Cal.)
• Flash point: 213.572°C (Cal.)