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Garcinone D

Garcinone D structure

CAS No:
107390-08-9
Formula:
C24H28O7
Chemical Name:
Garcinone D
Synonyms:
9H-Xanthen-9-one,1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methyl-2-buten-1-yl)-;9H-Xanthen-9-one,1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methyl-2-butenyl)-;1,3,6-Trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one;Garcinone D;1,3,6-Trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Solid

Garcinone D Basic Attributes

Molecular Weight：

428.47

Exact Mass：

428.47

DSSTox ID：

DTXSID00420547

Characteristics

PSA：

120.36000

XLogP3：

4.28380

Density：

1.304

Melting Point：

202-204 °C

Boiling Point：

674.2±55.0 °C(Predicted)

Water Solubility：

0.00821 mg/L @ 25 °C (est)

PKA：

7.22±0.20

Drug Information

MeSH Entry Terms：

garcinone D

Computed Properties

Molecular Weight:428.5
XLogP3:4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:428.18350323
Monoisotopic Mass:428.18350323
Topological Polar Surface Area:116
Heavy Atom Count:31
Complexity:671
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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