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Glyceollin I

Glyceollin I structure

CAS No:
57103-57-8
Formula:
C20H18O5
Chemical Name:
Glyceollin I
Synonyms:
2H,6H-Benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol,2,2-dimethyl-,(6aS,11aS)-;2H,6H-Benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol,2,2-dimethyl-,(6aS-cis)-;(6aS,11aS)-2,2-Dimethyl-2H,6H-benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran-6a,9(11aH)-diol;Glyceollin I;(-)-Glyceollin I
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Glyceollin is an organic heteropentacyclic compound.

Glyceollin I Basic Attributes

Molecular Weight：

338.4 g/mol

Exact Mass：

338.35

UNII：

6461TV6UCH

DSSTox ID：

DTXSID10205726

Characteristics

PSA：

68.2 Å²

Melting Point：

95-101 °C @ Solvent: Methanol

Drug Information

MeSH Entry Terms：

glyceollin

Glyceollin I Use and Manufacturing

Use Classification：

Polyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]

Computed Properties

Molecular Weight:338.4
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:338.11542367
Monoisotopic Mass:338.11542367
Topological Polar Surface Area:68.2
Heavy Atom Count:25
Complexity:574
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes