(1R,2S,4aR,5S,8aS)-5-(Hydroxymethyl)-1-(3-hydroxy-3-methyl-4-penten-1-yl)-2,5,8a-trimethyldecahydro-2-naphthalenol
[CAS# 86248-66-0]

Identification

• Name: (1R,2S,4aR,5S,8aS)-5-(Hydroxymethyl)-1-(3-hydroxy-3-methyl-4-penten-1-yl)-2,5,8a-trimethyldecahydro-2-naphthalenol
• Synonyms: 18-Hydroxysclareol; 1-Naphthalenepropanol, α-ethenyldecahydro-2-hydroxy-5-(hydroxymethyl)-α,2,5,8a-tetramethyl-, (1R-(1α(R*),2β,4aβ,5β,8aα))-
• Molecular Formula: C₂₀H₃₆O₃
• Molecular Weight: 324.50
• CAS Registry Number: 86248-66-0
• SMILES: OC[C@]1(CCC[C@]2([C@H]1CC[C@](O)([C@@H]2CCC(O)(\C=C)C)C)C)C
• InChI: 1S/C20H36O3/c1-6-18(3,22)12-8-16-19(4)11-7-10-17(2,14-21)15(19)9-13-20(16,5)23/h6,15-16,21-23H,1,7-14H2,2-5H3/t15-,16+,17+,18?,19-,20-/m0/s1
• InChIKey: ZWAHHSLEXAETEF-NJAGWSHESA-N

Properties

• Density: 1.008g/cm³ (Cal.)
• Boiling point: 439.397°C at 760 mmHg (Cal.)
• Flash point: 190.749°C (Cal.)