(1R,3Z,4S,4aa,6R,8ab,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-Trihydroxy-3-(Hydroxymethylene)-1,6,8b,9-Tetramethyl-10-[(R)-1-Methylpropyl]-1,4-Ethanonaphthalen-2(1H)-One
[CAS# 85269-22-3]

Identification

• Name: (1R,3Z,4S,4aa,6R,8ab,9S,10R)-3,4,4a,5,6,7,8,8a-Octahydro-4,6,9-Trihydroxy-3-(Hydroxymethylene)-1,6,8b,9-Tetramethyl-10-[(R)-1-Methylpropyl]-1,4-Ethanonaphthalen-2(1H)-One
• Synonyms: Nsc376690
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.50
• CAS Registry Number: 85269-22-3
• SMILES: C(C(C1C2(C)C3C(C(O)(C1(C)O)C(/C2=O)=C/O)CC(C)(O)CC3C)C)C
• InChI: 1S/C21H34O5/c1-7-11(2)16-19(5)15-12(3)8-18(4,24)9-13(15)21(26,20(16,6)25)14(10-22)17(19)23/h10-13,15-16,22,24-26H,7-9H2,1-6H3/b14-10+
• InChIKey: FHJXKTOXQHRDTL-GXDHUFHOSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 498.965°C at 760 mmHg (Cal.)
• Flash point: 269.66°C (Cal.)