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Peimine

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Name

Peimine

EINECS N/A
CAS No. 23496-41-5 Density 1.18 g/cm3
PSA 63.93000 LogP 3.61600
Solubility N/A Melting Point 233-234oC
Formula C27H45NO3 Boiling Point 568.4 °C at 760 mmHg
Molecular Weight 431.659 Flash Point 275.3 °C
Transport Information N/A Appearance White powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 23496-41-5 (Peimine) Hazard Symbols N/A
Synonyms

5a-Cevane-3b,6a,20-triol (8CI);Verticine (6CI,7CI);Dihydroisoimperialine;Peimine;Verticine;

 

Peimine Specification

The systematic name of Peimine is (3beta,5alpha,6alpha)-cevane-3,6,20-triol. With the CAS registry number 23496-41-5, it is also named as Verticine. The product's category is Miscellaneous Natural Products. In addition, its molecular formula is C27H45NO3 and molecular weight is 431.65.

The other characteristics of Peimine can be summarized as: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 1.28; (6)ACD/BCF (pH 7.4): 13.37; (7)ACD/KOC (pH 5.5): 5.66; (8)ACD/KOC (pH 7.4): 59.23; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.591; (13)Polar Surface Area: 30.93 Å2; (14)Molar Refractivity: 123.07 cm3; (15)Molar Volume: 363.9 cm3; (16)Polarizability: 48.79×10-24cm3; (17)Surface Tension: 53 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 275.3 °C; (20)Enthalpy of Vaporization: 97.99 kJ/mol; (21)Boiling Point: 568.4 °C at 760 mmHg; (22)Vapour Pressure: 2.74E-15 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O[C@@H]5C[C@@H]6[C@@H](O)C[C@@H]3[C@H](C[C@H]4[C@H]1[C@@H]([C@](O)([C@H]2N(C1)C[C@H](CC2)C)C)CC[C@@H]34)[C@@]6(C)CC5
(2)InChI: InChI=1/C27H45NO3/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/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1
(3)InChIKey: IUKLSMSEHKDIIP-BZMYINFQBS

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