(2S,3R,4R,4aS,5R,7R,8aS)-Rel-Octahydro-2,7-Dihydroxy-3-((1R)-1-(Hydroxymethyl) Propyl)-4-((2Z)-3-Hydroxy-1-Oxo-2-Propenyl)-2,4,5,7-Tetramethyl-1(2H)-Naphthalenone
[CAS# 81210-11-9]

Identification

• Name: (2S,3R,4R,4aS,5R,7R,8aS)-Rel-Octahydro-2,7-Dihydroxy-3-((1R)-1-(Hydroxymethyl) Propyl)-4-((2Z)-3-Hydroxy-1-Oxo-2-Propenyl)-2,4,5,7-Tetramethyl-1(2H)-Naphthalenone
• Synonyms: (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-3-[(1R)-1-(Hydroxymethyl)Propyl]-4-[(Z)-3-Hydroxyprop-2-Enoyl]-2,4,5,7-Tetramethyl-Decalin-1-One; (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-3-[(1R)-1-(Hydroxymethyl)Propyl]-4-[(Z)-3-Hydroxy-1-Oxoprop-2-Enyl]-2,4,5,7-Tetramethyl-1-Decalinone; (2S,3R,4R,4As,5R,7R,8As)-2,7-Dihydroxy-4-[(Z)-3-Hydroxyacryloyl]-2,4,5,7-Tetramethyl-3-[(1R)-1-Methylolpropyl]Decalin-1-One
• Molecular Formula: C₂₁H₃₄O₆
• Molecular Weight: 382.50
• CAS Registry Number: 81210-11-9
• SMILES: [C@]1(C([C@@H]2[C@@H]([C@@]([C@H]1[C@@H](CC)CO)(C)C(\C=C/O)=O)[C@@H](C[C@@](C2)(C)O)C)=O)(C)O
• InChI: 1S/C21H34O6/c1-6-13(11-23)17-20(4,15(24)7-8-22)16-12(2)9-19(3,26)10-14(16)18(25)21(17,5)27/h7-8,12-14,16-17,22-23,26-27H,6,9-11H2,1-5H3/b8-7-/t12-,13+,14+,16+,17-,19-,20-,21+/m1/s1
• InChIKey: YRECHDUAXCBBOZ-HOCCXODSSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 560.925°C at 760 mmHg (Cal.)
• Flash point: 307.091°C (Cal.)