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Castalagin

Castalagin structure

CAS No:
24312-00-3
Formula:
C41H26O26
Chemical Name:
Castalagin
Synonyms:
Castalagin;Vescalagin,(33β)-;32H-29,5,9-(Epoxyethanylylidyne)-1,30-methano-14H,16H-dibenzo[h,o]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacycloheptadecin-14,18,27,32,35-pentone,15a,28a,29,30-tetrahydro-2,3,4,6,7,8,10,11,12,20,21,22,23,24,25,33-hexadecahydroxy-,(4aS,9R,15aR,22aS,28aR,29R,30S,31R)-;NSC 297535;1-epi-Vescalagin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Solid

Castalagin Basic Attributes

Molecular Weight：

934.633

Exact Mass：

934.63

NSC Number：

297812|297535

Characteristics

PSA：

455

XLogP3：

0.9

Appearance：

Solid

Density：

2.034±0.06 g/cm3(Predicted)

Melting Point：

200 °C

Drug Information

MeSH Entry Terms：

castalagin

Computed Properties

Molecular Weight:934.6
XLogP3:0.9
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:26
Exact Mass:934.07123093
Monoisotopic Mass:934.07123093
Topological Polar Surface Area:455
Heavy Atom Count:67
Complexity:1960
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes