Chemical Properties of Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3«beta»,23«beta»)- (CAS 469-59-0)

InChI

InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14?,16?,18-,19?,20?,21?,23?,24?,26?,27?/m1/s1

InChI Key

CLEXYFLHGFJONT-LTAQWEIUSA-N

Formula

C27H39NO3

SMILES

CC1=C2C(=O)C3C(CC=C4CC(O)CCC43C)C2CCC12OC1CC(C)CNC1C2C

Molecular Weight¹

425.60

CAS

469-59-0

Other Names

• Iervin
• Jervine
• Spiro(9H-benzo(a)fluorene-9,2'(3'H)-furo(3,2-b)-pyridin)-11(1H)-one,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-
• 17,23«beta»-Epoxy-3«beta»-hydroxyveratraman-11-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	187.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.78	kJ/mol	Joback Calculated Property
ΔfusH°	53.93	kJ/mol	Joback Calculated Property
ΔvapH°	107.60	kJ/mol	Joback Calculated Property
log10WS	-6.02		Crippen Calculated Property
logPoct/wat	4.181		Crippen Calculated Property
McVol	340.820	ml/mol	McGowan Calculated Property
Pc	1344.71	kPa	Joback Calculated Property
Inp	[3559.00; 3559.00]
Inp	3559.00		NIST
Inp	3559.00		NIST
Tboil	1118.05	K	Joback Calculated Property
Tc	1375.64	K	Joback Calculated Property
Tfus	807.61	K	Joback Calculated Property
Vc	1.282	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1440.28; 1715.71]	J/mol×K	[1118.05; 1375.64]
Cp,gas	1440.28	J/mol×K	1118.05	Joback Calculated Property
Cp,gas	1479.09	J/mol×K	1160.98	Joback Calculated Property
Cp,gas	1520.12	J/mol×K	1203.91	Joback Calculated Property
Cp,gas	1563.84	J/mol×K	1246.85	Joback Calculated Property
Cp,gas	1610.71	J/mol×K	1289.78	Joback Calculated Property
Cp,gas	1661.18	J/mol×K	1332.71	Joback Calculated Property
Cp,gas	1715.71	J/mol×K	1375.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3«beta»,23«beta»)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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