12beta,13alpha-Dihydrojervine
[CAS# 21842-58-0]

Identification

• Name: 12beta,13alpha-Dihydrojervine
• Synonyms: (3S,3'R,3'As,6'S,6As,6Bs,7'Ar,10R,10As,11As,11Br)-3-Hydroxy-3',6',10,11B-Tetramethyl-Spiro[1,2,3,4,6,6A,6B,7,8,10,10A,11A-Dodecahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]-11-One; (3S,3'R,3'As,6'S,6As,6Bs,7'Ar,10R,10As,11As,11Br)-3-Hydroxy-3',6',10,11B-Tetramethyl-11-Spiro[1,2,3,4,6,6A,6B,7,8,10,10A,11A-Dodecahydrobenzo[I]Fluorene-9,2'-3A,4,5,6,7,7A-Hexahydro-3H-Furo[4,5-B]Pyridine]One; 12-Beta,13-Alpha-Dihydrojervine
• Molecular Formula: C₂₇H₄₁NO₃
• Molecular Weight: 427.63
• CAS Registry Number: 21842-58-0
• SMILES: [C@@H]16[C@H]([C@H]2[C@H](C1=O)[C@@]3(C(=CC2)C[C@@H](O)CC3)C)CCC5(O[C@H]4[C@@H](NC[C@H](C4)C)[C@H]5C)[C@@H]6C
• 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/h5,14-16,18-24,28-29H,6-13H2,1-4H3/t14-,15+,16+,18-,19-,20-,21+,22+,23+,24-,26-,27?/m0/s1
• InChIKey: ADBZXUDEQXJJDM-QQQVHTRUSA-N

Properties

• Density: 1.168g/cm³ (Cal.)
• Boiling point: 577.322°C at 760 mmHg (Cal.)
• Flash point: 302.954°C (Cal.)