Abrusogenin

CAT: 0013-GTR19224089-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19224089-01Size:100 mg

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Description

Abrusogenin is a sweet-tasting saponin of natural origin with potential cytotoxic properties. It is utilized in biochemical research to investigate its mechanisms of action in cytotoxicity assays and explore its applications in pharmacological studies, both in vitro and in vivo.

CAS Number

124962-07-8

Smiles

[H][C@@]1 (CC[C@@]2 (C) [C@]3 ([H]) CC[C@]4 ([H]) [C@]5 (C[C@@]35CC[C@]12C) CC[C@H] (O) [C@@]4 (C) C (O) =O) [C@H] (C) [C@]1 ([H]) CC=C (C) C (=O) O1 |t:38|

Molecular Formula

C30H44O5

Molecular Weight

484.677

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Abrusogenin

Abrusogenin has been reported in Abrus precatorius with data available.

CAS Number	124962-07-8
PubChem CID	6451058
IUPAC Name	(1S,3R,6S,7S,8R,11S,12S,15R,16R)-6-hydroxy-7,12,16-trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Molecular Formula	C30H44O5
Molecular Weight	484.7
XLogP	7.4
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	35
Formal Charge	0
Complexity	1000

SMILES

CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O)C)C

InChI

InChI=1S/C30H44O5/c1-17-6-7-20(35-24(17)32)18(2)19-10-12-27(4)21-8-9-22-28(5,25(33)34)23(31)11-13-29(22)16-30(21,29)15-14-26(19,27)3/h6,18-23,31H,7-16H2,1-5H3,(H,33,34)/t18-,19+,20-,21-,22-,23-,26+,27-,28-,29+,30-/m0/s1

InChIKey

IPIKCTWGPWLVBN-PTOBDFHPSA-N

Chemical Structure

2D Structure

CAS: 124962-07-8

CID: 6451058

Formula: C30H44O5

MW: 484.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	484.7
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	484.31887450
Monoisotopic Mass	484.31887450
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	1000
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T29520-01	Abrusogenin

Abrusogenin

Chemical Information

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