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CAS No.: | 18059-10-4 |
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Name: | Peiminine |
Molecular Structure: | |
Formula: | C27H43NO3 |
Molecular Weight: | 429.643 |
Synonyms: | 5a-Cevan-6-one, 3b,20-dihydroxy- (8CI);Fritillarine (6CI);Osnovanine (7CI);Raddeanine;Raddeanine (Fritillaria);Verticinone; |
Density: | 1.18 g/cm3 |
Melting Point: | 212-213oC |
Boiling Point: | 567.1 °C at 760 mmHg |
Flash Point: | 296.8 °C |
Appearance: | White powder |
Safety: | 24/25 |
PSA: | 60.77000 |
LogP: | 3.82420 |
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: 60.77Å2; (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