(2S,4aa,8ab)-3,4,4a,5,6,7,8,8a-Octahydro-2,7b-Dihydroxy-4a-(3-Hydroxy-1-Oxopropyl)-2,4b,5a,7a-Tetramethyl-3a-[(R)-1-Methylpropyl]-1(2H)-Naphthalenone
[CAS# 85269-23-4]

Identification

• Name: (2S,4aa,8ab)-3,4,4a,5,6,7,8,8a-Octahydro-2,7b-Dihydroxy-4a-(3-Hydroxy-1-Oxopropyl)-2,4b,5a,7a-Tetramethyl-3a-[(R)-1-Methylpropyl]-1(2H)-Naphthalenone
• Synonyms: (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-4-(3-Hydroxypropanoyl)-2,4,5,7-Tetramethyl-3-Sec-Butyl-Decalin-1-One; (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-4-(3-Hydroxy-1-Oxopropyl)-2,4,5,7-Tetramethyl-3-Sec-Butyl-1-Decalinone; 1(2H)-Naphthalenone, Octahydro-2,7-Dihydroxy-4-(3-Hydroxy-1-Oxopropyl)-2,4,5,7-Tetramethyl-3-((1R)-1-Methylpropyl)-, (2S,3R,4R,4As,5R,7R,8As)-
• Molecular Formula: C₂₁H₃₆O₅
• Molecular Weight: 368.51
• CAS Registry Number: 85269-23-4
• SMILES: [C@]1(C([C@@H]2[C@@H]([C@@]([C@H]1[C@@H](CC)C)(C)C(CCO)=O)[C@@H](C[C@@](C2)(C)O)C)=O)(C)O
• InChI: 1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1
• InChIKey: PUZNAAVWFXQUDM-HBKHSIGZSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 517.129°C at 760 mmHg (Cal.)
• Flash point: 280.633°C (Cal.)