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Rhodojaponin III

Rhodojaponin III structure

CAS No:
26342-66-5
Formula:
C20H32O6
Chemical Name:
Rhodojaponin III
Synonyms:
Grayanotoxane-5,6,10,14,16-pentol,2,3-epoxy-,(2β,3β,6β,14R)-;7,9a-Methano-9aαH-cyclopenta[b]heptalene-4,8,11,11aβ,12(1H)-pentol,2β,3β-epoxy-2,3,3aβ,4,4aβ,5,6,7β,8,9,10,11α-dodecahydro-1,1,4β,8β-tetramethyl-;5,7a-Methano-7aH-cyclohept[6,7]azuleno[1,2-b]oxirene,grayanotoxane-5,6,10,14,16-pentol deriv.;(2β,3β,6β,14R)-2,3-Epoxygrayanotoxane-5,6,10,14,16-pentol;Rhodojaponin III
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Rhodojaponin III Basic Attributes

Molecular Weight：

368.46400

Exact Mass：

368.46

Characteristics

PSA：

113.68000

XLogP3：

0.18470

Density：

1.4g/cm3

Melting Point：

285-287 °C

Boiling Point：

557.3ºC at 760mmHg

Flash Point：

290.9ºC

Refractive Index：

1.631

Vapor Pressure：

9.61E-15mmHg at 25°C

Drug Information

MeSH Entry Terms：

rhodojaponin III

Computed Properties

Molecular Weight:368.5
XLogP3:0.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Exact Mass:368.21988874
Monoisotopic Mass:368.21988874
Topological Polar Surface Area:114
Heavy Atom Count:26
Complexity:667
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes