Peiminine

The CAS register number of Peiminine is 18059-10-4. It also can be called as 3beta,20-Dihydroxy-5alpha-cevan-6-one and the systematic name about this chemical is (3β)-3,20-dihydroxycevan-6-one. The molecular formula about this chemical is C₂₇H₄₃NO₃ and the molecular weight is 429.64. It belongs to the Steroids. This chemical can be isolated from Fritillaria verticillata.

Physical properties about Peiminine are: (1)ACD/LogP: 3.90; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 1.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.81; (6)ACD/KOC (pH 5.5): 2.83; (7)ACD/KOC (pH 7.4): 27.96; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 60.77Ų; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 121.67 cm³; (14)Molar Volume: 362.9 cm³; (15)Polarizability: 48.23x10^-24cm³; (16)Surface Tension: 51.5 dyne/cm; (17)Enthalpy of Vaporization: 97.8 kJ/mol; (18)Boiling Point: 567.1 °C at 760 mmHg; (19)Vapour Pressure: 3.2E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@]3(O)[C@H]4CC[C@H]1[C@@H]5CC(=O)[C@@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]1[C@@H]4CN2C[C@@H](C)CC[C@H]23
(2)InChI: InChI=1/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23-,25-,26+,27-/m0/s1
(3)InChIKey: IQDIERHFZVCNRZ-WYRMSFGHBO
(4)Std. InChI: InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23-,25-,26+,27-/m0/s1
(5)Std. InChIKey: IQDIERHFZVCNRZ-WYRMSFGHSA-N