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

Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3.beta.,23.beta.)-

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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
  • 17,23«beta»-Epoxy-3«beta»-hydroxyveratraman-11-one
  • 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-
Sources

Physical Properties

Property Value Unit Source
Δf 187.65 kJ/mol Joback Calculated Property
Δfgas -560.78 kJ/mol Joback Calculated Property
Δfus 53.93 kJ/mol Joback Calculated Property
Δvap 107.60 kJ/mol Joback Calculated Property
logPoct/wat 4.18 Crippen Calculated Property
Pc 1344.71 kPa Joback Calculated Property
Tboil 1118.05 K Joback Calculated Property
Tc 1375.64 K Joback Calculated Property
Tfus 807.61 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1440.28 J/mol×K 1118.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 4
=CH- (ring) 1
-OH (alcohol) 1
>NH (ring) 1
=C< (ring) 3
>C< (ring) 2
>C=O (ring) 1
>CH- (ring) 8
-CH2- (ring) 8

Similar Compounds

Paclitaxel. Tetracycline hydrochloride. Strychnine. Brucine. Nalmefene, bis(trifluoroacetate). Thebaine. Chlortetracycline hydrochloride. Cyanocobalamin. Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-. Etorphine. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Heptafluorobutyryl-codeine. AJMALINE, M(HO-), AC. Ergotamine, dihydro, methanesulfonate (salt). DIHYDROERGOTAMINE.

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