Yibeissine

CAT: 0804-HY-121631-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-121631-01Size:5 mg

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Description

Yibeissine is a steroidal alkaloid isolated from the bulb of Fritillaria pallioiflora Schren[1].

CAS Number

143502-51-6

UNSPSC

12352005

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

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

Purity

99.10

Solubility

DMSO : 10 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

CC1=C([C@@H]2O)[C@@]([C@@](CC3=O)([H])[C@@]2([H])[C@]([C@]3([H])C[C@H]4O)(CC4)C)([H])CC[C@@]1(O[C@@](C5)([H])[C@@]6([H])NC[C@H]5C)[C@@H]6C

Molecular Formula

C27H41NO4

Molecular Weight

443.62

References & Citations

[1]Y J Xu, et al. Isolation and identification of yibeissine. Yao Xue Xue Bao. 1992;27 (2) :121-4.

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, sealed storage, away from moisture and light)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Yibeissine

Yibeissine has been reported in Fritillaria pallidiflora with data available.

CAS Number	143502-51-6
PubChem CID	3083381
IUPAC Name	(3S,3'R,3'aS,4aS,6'S,6aS,6bS,7'aR,9R,11R,11aS,11bR)-3,11-dihydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one
Molecular Formula	C27H41NO4
Molecular Weight	443.6
XLogP	1.6
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	32
Formal Charge	0
Complexity	855

SMILES

C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](CC[C@@]6([C@H]5[C@H](C4=C3C)O)C)O)C)NC1

InChI

InChI=1S/C27H41NO4/c1-13-9-21-24(28-12-13)15(3)27(32-21)8-6-17-18-11-20(30)19-10-16(29)5-7-26(19,4)23(18)25(31)22(17)14(27)2/h13,15-19,21,23-25,28-29,31H,5-12H2,1-4H3/t13-,15+,16-,17-,18-,19+,21+,23+,24-,25-,26-,27-/m0/s1

InChIKey

NURPXYQPDMVKOY-RUKZUWONSA-N

Chemical Structure

2D Structure

CAS: 143502-51-6

CID: 3083381

Formula: C27H41NO4

MW: 443.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.6
XLogP3	1.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	443.30355879
Monoisotopic Mass	443.30355879
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	855
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

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TN6712-01	Yibeissine

Yibeissine

Chemical Information

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