(1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-Dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-3-yl]-1,2-Ethanediol
[CAS# 52591-03-4]

Identification

• Name: (1R)-1-[(3R,4aS,5S,6aS,10aS,10bR)-Dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-3-yl]-1,2-Ethanediol
• Synonyms: Borjatriol; Nsc639382; Nci60_013033
• Molecular Formula: C₂₀H₃₆O₄
• Molecular Weight: 340.50
• CAS Registry Number: 52591-03-4
• SMILES: C3(C)(C)C2C[C@@H]([C@@]1(C(CC[C@@](O1)([C@H](O)CO)C)[C@]2(CCC3)C)C)O
• InChI: 1S/C20H36O4/c1-17(2)8-6-9-18(3)13-7-10-19(4,16(23)12-21)24-20(13,5)15(22)11-14(17)18/h13-16,21-23H,6-12H2,1-5H3/t13?,14?,15-,16+,18+,19+,20-/m0/s1
• InChIKey: YWTBYYFVZRIQQE-GVDRKLJBSA-N

Properties

• Density: 1.08g/cm³ (Cal.)
• Boiling point: 472.126°C at 760 mmHg (Cal.)
• Flash point: 239.333°C (Cal.)