peimisine

The IUPAC name of Peimisine is (3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one. With the CAS registry number 19773-24-1, it is also named as Veratraman-6(5H)-one, 17,23-epoxy-3-hydroxy-, (3beta)-. This chemical is isolated from Fritillaria ussuriensis. In addition, its molecular formula is C₂₇H₄₁NO₃ and molecular weight is 427.61934.

The other characteristics of Peimisine can be summarized as: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 2.01; (8)ACD/KOC (pH 7.4): 6.67; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 121.12 cm³; (15)Molar Volume: 365.2 cm³; (16)Polarizability: 48.01×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 300.3 °C; (20)Enthalpy of Vaporization: 98.63 kJ/mol; (21)Boiling Point: 573 °C at 760 mmHg; (22)Vapour Pressure: 1.63E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C5C[C@@H]4[C@H](C/C3=C(/[C@@]1(O[C@@H]2C[C@@H](CN[C@H]2[C@H]1C)C)CC[C@H]34)C)[C@]6(C)[C@@H]5C[C@@H](O)CC6
(2)InChI: InChI=1/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1
(3)InChIKey: KYELXPJVGNZIGC-GKFGJCLEBO
(4)Std. InChI: InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1
(5)Std. InChIKey: KYELXPJVGNZIGC-GKFGJCLESA-N