Name: Lycodoline
SKU: 6900-92-1

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Basic Information

Molecular Structure:
CAS No.:	6900-92-1
Name:	Lycodoline

Formula:	C₁₆H₂₅NO₂
Molecular Weight:	263.38
Synonyms:	Lycopodan-5-one, 12-hydroxy-15-methyl-, (15R)-;1,9-Ethanobenzo[i]quinolizine, lycopodan-5-one deriv.;Lycodoline(7CI,8CI);
Density:	1.193 g/cm³
Melting Point:	180-181℃
Boiling Point:	412.67 °C at 760 mmHg
Flash Point:	203.376 °C
PSA:	40.54000
LogP:	1.91890

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Specification

This chemical is called 1,9-Ethanobenzo[i]quinolizin-14-one,dodecahydro-8a-hydroxy-11-methyl-, (1S,8aS,9S,11R,12aS)-, and its systematic name is (15R)-12-hydroxy-15-methyllycopodan-5-one. With the molecular formula of C₁₆H₂₅NO₂, its molecular weight is 263.38. The CAS registry number of this chemical is 6900-92-1.

Other characteristics of the 1,9-Ethanobenzo[i]quinolizin-14-one,dodecahydro-8a-hydroxy-11-methyl-, (1S,8aS,9S,11R,12aS)- can be summarised as followings: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.54 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 73.444 cm³; (15)Molar Volume: 220.828 cm³; (16)Polarizability: 29.116×10^-24cm³; (17)Surface Tension: 50.241 dyne/cm; (18)Density: 1.193 g/cm³; (19)Flash Point: 203.376 °C; (20)Enthalpy of Vaporization: 76.87 kJ/mol; (21)Boiling Point: 412.67 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C3C[C@@H]1C[C@@H](C)C[C@@]24N(CCC[C@]12O)CCC[C@H]34
2.InChI: InChI=1/C16H25NO2/c1-11-8-12-9-14(18)13-4-2-6-17-7-3-5-16(12,19)15(13,17)10-11/h11-13,19H,2-10H2,1H3/t11-,12+,13-,15+,16+/m1/s1
3.InChIKey: DBMXKPOCXQNWOQ-WALBABNVBR