Chemical Properties of Galanthan-1-ol, 3,12-didehydro-2,9,10-trimethoxy-, (1«alpha»,2«beta»)- (CAS 517-78-2)

InChI

InChI=1S/C18H23NO4/c1-21-13-7-11-9-19-5-4-10-6-15(23-3)18(20)16(17(10)19)12(11)8-14(13)22-2/h6-8,15-18,20H,4-5,9H2,1-3H3

InChI Key

VOIMPDXOQJYVDI-UHFFFAOYSA-N

Formula

C18H23NO4

SMILES

COc1cc2c(cc1OC)C1C(O)C(OC)C=C3CCN(C2)C31

Molecular Weight¹

317.38

CAS

517-78-2

Other Names

• Galanthine
• 9,10-Secolycoran-1«alpha»-ol, 3,3a-didehydro-2«beta»-methoxy-O9-methyl-
• 2,9,10-Trimethoxy-3,12-didehydrogalanthan-1-ol-, (1«alpha»,2«beta»)-
• (1S,2S,3a1S,11bS)-2,9,10-Trimethoxy-2,3a1,4,5,7,11b-hexahydro-1H-pyrrolo[3,2,1-de]phenanthridin-1-ol

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7396		Relay (... Calculated Property
ΔfG°	-65.74	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-374.76	kJ/mol	Relay (... Calculated Property
ΔvapH°	125.88	kJ/mol	Relay (... Calculated Property
IE	7.76	eV	Relay (... Calculated Property
log10WS	-1.89		Relay (... Calculated Property
logPoct/wat	1.691		Crippen Calculated Property
McVol	237.300	ml/mol	McGowan Calculated Property
Pc	1482.46	kPa	Relay (... Calculated Property ⚠️
Inp	[2722.20; 2722.20]
Inp	2722.20		NIST
Inp	2722.20		NIST
Tboil	666.97	K	Relay (... Calculated Property
Tc	942.53	K	Relay (... Calculated Property
Tfus	468.05	K	Relay (... Calculated Property
Vc	0.876	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Galanthan-1-ol, 3,12-didehydro-2,9,10-trimethoxy-, (1«alpha»,2«beta»)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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