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EPOXYBERGAMOTTIN

EPOXYBERGAMOTTIN structure

CAS No:
206978-14-5
Formula:
C21H22O5
Chemical Name:
EPOXYBERGAMOTTIN
Synonyms:
EPOXYBERGAMOTTIN;4-[[(2E)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-penten-1-yl]oxy]-7H-Furo[3,2-g][1]benzopyran-7-one;5-(6',7'-Epoxy)geranyloxypsoralen;6',7'-Epoxybergamottin
Categories:
Analytical Chemistry > Standard

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Description

Epoxybergamottin is a member of psoralens.

EPOXYBERGAMOTTIN Basic Attributes

Molecular Weight：

354.39638

Exact Mass：

354.147

Characteristics

PSA：

61.2

XLogP3：

4.3

Density：

1.210

Melting Point：

69-70 °C

Storage Conditions：

-20°C

Safety Information

wgk germany：

Drug Information

MeSH Entry Terms：

epoxybergamottin

EPOXYBERGAMOTTIN Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Other Flavonoids [PK1216]

Computed Properties

Molecular Weight:354.4
XLogP3:4.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:354.14672380
Monoisotopic Mass:354.14672380
Topological Polar Surface Area:61.2
Heavy Atom Count:26
Complexity:608
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes