Chemical Properties of 13«alpha»-Tigloyloxymultiflorine

13«alpha»-Tigloyloxymultiflorine

InChI
InChI=1S/C20H28N2O3/c1-3-13(2)20(24)25-17-5-7-22-11-14-8-15(19(22)10-17)12-21-6-4-16(23)9-18(14)21/h3-4,6,14-15,17-19H,5,7-12H2,1-2H3/b13-3+/t14?,15?,17-,18?,19?/m1/s1
InChI Key
ANLPQANGWMODSI-XEQNMMFTSA-N
Formula
C20H28N2O3
SMILES
CC=C(C)C(=O)OC1CCN2CC3CC(CN4C=CC(=O)CC34)C2C1
Molecular Weight1
344.45
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Physical Properties

Property Value Unit Source
ω 0.6269 Relay (1.0) Calculated Property
ΔfG° 45.73 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -499.21 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 125.93 kJ/mol Relay (1.0) Calculated Property
IE 7.24 eV Relay (1.0) Calculated Property
log10WS -2.63 Relay (1.0) Calculated Property
logPoct/wat 2.136 Crippen Calculated Property
McVol 269.590 ml/mol McGowan Calculated Property
Pc 984.64 kPa Relay (1.0-beta) Calculated Property
Inp 2955.00 NIST
Tboil 668.94 K Relay (1.0) Calculated Property
Tc 959.54 K Relay (1.0) Calculated Property
Tfus 448.71 K Relay (1.0) Calculated Property
Vc 0.963 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Tigloyloxymultoflorine. Angeloyloxymultiflorine. 13-Tigloyloxymultiflorine. 13-Angeloyloxymultiflorine. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 13«alpha»-Tigloyloxymultiflorine.

Sources

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