Songbaisine A
[CAS# 142631-45-6]

Identification

• Name: Songbaisine A
• Synonyms: (3S,3'S,3'As,4As,6'S,6As,6Bs,7'As,9S,11As,11Bs)-3-Hydroxy-3',6',10,11B-Tetramethyl-Spiro[1,2,3,4,4A,5,6,6A,6B,7,8,11A-Dodecahydrobenzo[A]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]-11-One; (3S,3'S,3'As,4As,6'S,6As,6Bs,7'As,9S,11As,11Bs)-3-Hydroxy-3',6',10,11B-Tetramethyl-11-Spiro[1,2,3,4,4A,5,6,6A,6B,7,8,11A-Dodecahydrobenzo[A]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]One; Songbaisine
• Molecular Formula: C₂₇H₄₁NO₃
• Molecular Weight: 427.63
• CAS Registry Number: 142631-45-6
• SMILES: [C@@H]45[C@H]([C@H]3C(=C([C@]2(O[C@@H]1[C@@H](NC[C@H](C1)C)[C@@H]2C)CC3)C)C4=O)CC[C@@H]6[C@@]5(CC[C@H](O)C6)C
• InChI: 1S/C27H41NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h14,16-21,23-24,28-29H,5-13H2,1-4H3/t14-,16-,17-,18-,19-,20-,21-,23+,24-,26-,27+/m0/s1
• InChIKey: YQGYDJYDIWCHOB-SZKIHVIJSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 579.573°C at 760 mmHg (Cal.)
• Flash point: 304.315°C (Cal.)