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CAS No.: | 98243-57-3 |
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Name: | HUPEHENINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C27H45 N O2 |
Molecular Weight: | 415.66 |
Synonyms: | 20-Deoxy-17-epiisoverticine;5a,14a,17b-Cevanine-3b,6b-diol; Delavine; Hupehenine |
Density: | 1.133g/cm3 |
Melting Point: | 181-182 °C |
Boiling Point: | 538.039oC at 760 mmHg |
Flash Point: | 250.376oC |
Safety: | 24/25 |
PSA: | 43.70000 |
LogP: | 4.50110 |
Molecular Structure of Hupehenine (CAS NO.98243-57-3):
Systematic Name: (3beta,5alpha,6beta,17beta)-Cevane-3,6-diol
Molecular Formula: C27H45NO2
Molecular Weight: 415.65
CAS Registry Number: 98243-57-3
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 2
Index of Refraction: 1.577
Molar Refractivity: 121.507 cm3
Molar Volume: 366.899 cm3
Surface Tension: 48.243 dyne/cm
Density: 1.133 g/cm3
Flash Point: 250.376 °C
Enthalpy of Vaporization: 93.737 kJ/mol
Boiling Point: 538.039 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: O[C@@H]5C[C@@H]6[C@H](O)C[C@@H]4[C@H](C[C@@H]1[C@H]4CC[C@H]2[C@@H](C)[C@@H]3CC[C@H](C)CN3C[C@@H]12)[C@@]6(C)CC5
InChI: InChI=1/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1
InChIKey: NEMWYOKGHGSVSC-MSSYMPDSBN
Hupehenine (CAS NO.98243-57-3), its Synonyms are (3beta,5alpha,6beta,17beta)-Cevane-3,6-diol ; Cevane-3,6-diol, (3beta,5alpha,6beta,17beta)- ; 20-Deoxy-17-epiisoverticine ; 5alpha,14alpha,17beta-Cevanine-3beta,6beta-diol ; Delavine .
The quantitative analysis of Hupehenine has developed by A reverse-phase high pressure liquid chromatography (HPLC) method with evaporative light scattering detection (ELSD) in the total alkaloids from Fritillaria hupehensis.