Peimisine

CAT: 0127-BUP08907-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08907-01Size:1 mg

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CAS Number

19773-24-1

Synonyms

Ebeiensine

Purity

=98%

Smiles

C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C

Chemical Information

Peimisine

Peimisine is an alkaloid.

CAS Number	19773-24-1
PubChem CID	161294
IUPAC Name	(3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-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	C27H41NO3
Molecular Weight	427.6
XLogP	2.7
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	31
Formal Charge	0
Complexity	821

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]5CC4=C3C)C)O)C)NC1

InChI

InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1

InChIKey

KYELXPJVGNZIGC-GKFGJCLESA-N

Chemical Structure

2D Structure

CAS: 19773-24-1

CID: 161294

Formula: C27H41NO3

MW: 427.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	427.6
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	427.30864417
Monoisotopic Mass	427.30864417
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	821
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

Related Products

Catalog	Name
BUP06383-01	Peiminine
BUP06382-01	Peimine
OR1023351-01	Peimine

Alternative Products

Catalog	Name
TP014097	Peimisine
A14657-5	Peimisine 5mg
ALB49844-01	Peimisine hydrochloride
A14657-10	Peimisine 10mg
HY-N0214R-01	Peimisine (Standard)
HY-N0214A-01	Peimisine (hydrochloride)
A14657-1	Peimisine 1mg
574166	Peimisine HCl
A14657-100	Peimisine 100mg
A14657-50	Peimisine 50mg

Peimisine

Chemical Information

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