Peimine supplier | CasNO.23496-41-5

Name
Peimine
EINECS
CAS No. 23496-41-5
Density 1.18 g/cm³
Solubility
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
Appearance White powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5a-Cevane-3b,6a,20-triol (8CI);Verticine (6CI,7CI);Dihydroisoimperialine;Peimine;Verticine;
PSA 63.93000
LogP 3.61600

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

Product Name

Peimine

Peimine Specification

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