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Wilforine

Wilforine structure

CAS No:
11088-09-8
Formula:
C43H49NO18
Chemical Name:
Wilforine
Synonyms:
8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-,(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-;Wilforine;Evonimine,8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-,(8α)-;(8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione;8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione,10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-,[8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,21S*,22S*,23R*)]-;26-Deoxywilfordine
Categories:
Natural Products > Terpenes

Description

ChEBI: An organic heteropentacyclic compound and pyridine alkaloid with formula C43H49NO18 originally isolated from the roots of Tripterygium wilfordii.

Wilforine Basic Attributes

Molecular Weight：

867.8 g/mol

Exact Mass：

867.85

Characteristics

PSA：

252.75000

XLogP3：

6.24

Density：

1.41

Melting Point：

158-163 °C

Boiling Point：

871.5±65.0 °C(Predicted)

Flash Point：

480.9±34.3 °C

Refractive Index：

1.589

Toxicity：

LD50 intraperitoneal in mouse: 418mg/kg

Drug Information

MeSH Entry Terms：

wilforine

Computed Properties

Molecular Weight:867.8
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:14
Exact Mass:867.29496371
Monoisotopic Mass:867.29496371
Topological Polar Surface Area:253
Heavy Atom Count:62
Complexity:1800
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 11088-09-8

Grade: Pharmaceutical grade

Content: 99%

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Guide of Wilforine

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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