Ruizgenin

CAT: 0804-HY-121593Size: 1 EachDry Ice: NoHazardous: No

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Description

Ruizgenin is a new steroidal saponin diol extracted from Agave lecheguilla.

CAS Number

41743-71-9

UNSPSC

12352005

Target

Others

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/ruizgenin.html

Smiles

[H][C@@]1(C[C@]2([C@@]3(C[C@H]([C@]4(C[C@H](CC[C@@]4([C@]3(CC[C@@]2([C@]15[H])C)[H])C)O)[H])O)[H])[H])O[C@]6([C@H]5C)OC[C@@H](CC6)C

Molecular Formula

C27H44O4

Molecular Weight

432.64

References & Citations

[1]RUIZGENIN, A NEW STEROIDAL SAPOGENIN DIOL FROM AGAVE LECHEGUILLA

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

beta-CHLOROGENIN

β-chlorogenin has been reported in Allium ampeloprasum, Allium rotundum, and Allium sativum with data available.

CAS Number	41743-71-9
PubChem CID	10717615
IUPAC Name	(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,19-diol
Molecular Formula	C27H44O4
Molecular Weight	432.6
XLogP	5.1
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]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1

InChI

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

InChIKey

PZNPHSFXILSZTM-LHCNFSBLSA-N

Chemical Structure

2D Structure

CAS: 41743-71-9

CID: 10717615

Formula: C27H44O4

MW: 432.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	432.6
XLogP3	5.1
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
MBS5783954	Ruizgenin

Ruizgenin

Chemical Information

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