Gitogenin

CAT: 0127-BUP11656-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11656-01Size:1 mg

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CAS Number

511-96-6

Purity

=98%

Smiles

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@@H](O)[C@H](O)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2

Chemical Information

Gitogenin

Gitogenin is a triterpenoid.

CAS Number	511-96-6
PubChem CID	441887
IUPAC Name	(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol
Molecular Formula	C27H44O4
Molecular Weight	432.6
XLogP	5.5
Topological Polar Surface Area	58.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	31
Formal Charge	0
Complexity	726

SMILES

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1

InChI

InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1

InChIKey

FWCXELAAYFYCSR-RYKNUXCGSA-N

Chemical Structure

2D Structure

CAS: 511-96-6

CID: 441887

Formula: C27H44O4

MW: 432.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	432.6
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	432.32395988
Monoisotopic Mass	432.32395988
Topological Polar Surface Area	58.9 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	726
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
300366	Gitogenin
HY-N2574R	Gitogenin (Standard)

Gitogenin

Chemical Information

Alternative Products

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