Yubeinine

CAT: 0013-GTR19170667-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19170667-02Size:1 mg

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Description

Yubeinine is a natural alkaloid with documented tracheal smooth muscle relaxant properties. It is utilized in respiratory research, particularly for in vitro studies investigating bronchial tone and potential pathways involved in airway relaxation.

CAS Number

157478-01-8

Product Name Alternative

Inhibit, Inhibitor, Yubeinine

Purity

99.56% (May vary between batches)

Smiles

[H][C@@]12CC[C@]3 ([H]) [C@@] ([H]) (CN4C[C@@H] (C) CC[C@@]4 ([H]) [C@@]3 (C) O) [C@]1 ([H]) C[C@@]1 ([H]) [C@@]2 ([H]) CC (=O) [C@@]2 ([H]) C[C@H] (O) CC[C@]12C

Molecular Formula

C27H43NO3

Molecular Weight

429.64

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Yubeinine

Yubeinine has been reported in Fritillaria yuminensis with data available.

CAS Number	157478-01-8
PubChem CID	125181616
IUPAC Name	(1R,2S,6S,9S,10S,11R,14S,15S,18S,20R,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Molecular Formula	C27H43NO3
Molecular Weight	429.6
XLogP	3.9
Topological Polar Surface Area	60.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	31
Formal Charge	0
Complexity	755

SMILES

C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@H](C6)O)C)(C)O

InChI

InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16+,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1

InChIKey

IQDIERHFZVCNRZ-MWNPEGAOSA-N

Chemical Structure

2D Structure

CAS: 157478-01-8

CID: 125181616

Formula: C27H43NO3

MW: 429.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	429.6
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	429.32429423
Monoisotopic Mass	429.32429423
Topological Polar Surface Area	60.8 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	755
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
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
HGA47801-01	Yubeinine

Yubeinine

Chemical Information

Alternative Products

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