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Gitogenin

Gitogenin structure

CAS No:
511-96-6
Formula:
C27H44O4
Chemical Name:
Gitogenin
Synonyms:
Spirostan-2,3-diol,(2α,3β,5α,25R)-;Gitogenin;5α-Spirostan-2α,3β-diol,(25R)-;(2α,3β,5α,25R)-Spirostan-2,3-diol;(25R)-5α-Spirostan-2α,3β-diol;Digin;5α,25D-Spirostan-2α,3β-diol;2α-Hydroxytigogenin;NSC 147752;(2a,3b,5a,25R)-Spirostan-2,3-diol;1391-33-9;1667763-72-5
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Gitogenin is a natural steroid isolated from the whole plant of Tribulus longipetalus. Gitogenin is a selective inhibitor of UDP-glucuronosyltransferase 1A4 (UGT1A4) and enzyme α-glucosidase with IC50 values of 0.69 μM (use trifluoperazine as a substrate) and 37.2 μM, respectively, and does not inhibit the activities of major human cytochrome P450 isoforms[1][2].

Gitogenin Basic Attributes

Molecular Weight：

432.636

Exact Mass：

432.64

NSC Number：

147752

Characteristics

PSA：

58.92000

XLogP3：

5.02

Density：

1.2±0.1 g/cm3

Melting Point：

266-268 °C

Boiling Point：

534.2±35.0 °C at 760 mmHg

Flash Point：

276.9±25.9 °C

Refractive Index：

1.565

Computed Properties

Molecular Weight:432.6
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:432.32395988
Monoisotopic Mass:432.32395988
Topological Polar Surface Area:58.9
Heavy Atom Count:31
Complexity:726
Undefined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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