Pereniporin B
[CAS# 16772-63-7]

Identification

• Name: Pereniporin B
• Synonyms: (5R,5As,9As,9Bs)-5,9B-Dihydroxy-6,6,9A-Trimethyl-1,5,5A,7,8,9-Hexahydrobenzo[E]Isobenzofuran-3-One; Naphtho(1,2-C)Furan-3(1H)-One, 5,5A,6,7,8,9,9A,9B-Octahydro-5,9B-Dihydroxy-6,6,9A-Trimethyl-, (5R-(5Alpha,5Abeta,9Aalpha,9Bbeta))-; Pereniporin B
• Molecular Formula: C₁₅H₂₂O₄
• Molecular Weight: 266.34
• CAS Registry Number: 16772-63-7
• SMILES: [C@]12([C@H](C(CCC1)(C)C)[C@H](O)C=C3[C@]2(O)COC3=O)C
• InChI: 1S/C15H22O4/c1-13(2)5-4-6-14(3)11(13)10(16)7-9-12(17)19-8-15(9,14)18/h7,10-11,16,18H,4-6,8H2,1-3H3/t10-,11+,14+,15-/m1/s1
• InChIKey: HLEGAPKZEJEXHT-FDRIWYBQSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 463.027°C at 760 mmHg (Cal.)
• Flash point: 173.413°C (Cal.)