Petasinine

Catalog Number	ACM70474338
CAS Number	70474-33-8
Synonyms	(Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester
Molecular Weight	239.31
InChI	InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-12-7-14-6-4-5-11(14)10(12)8-15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11+,12+/m1/s1
InChI Key	HQARVRYBUBTANR-JTPMTOLCSA-N
Purity	95%+
Complexity	327
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	239.15214353
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO
Monoisotopic Mass	239.15214353
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	49.8 Ų

Custom Q&A

What is the chemical name of petasinine?

(Z)-2-Methyl-2-butenoic acid [(1S,2R,7aS)-hexahydro-1-hydroxymethyl-1H-pyrrolizin-2-yl] ester

Where does petasinine occur naturally?

Petasites japonicus Maxim

What is the physical appearance of petasinine?

An amorphous white powder

What is the specific rotation of petasinine?

[α]D + 16°

What products are formed upon hydrolysis of petasinine?

Angelic acid and petasinecine

What is the chemical formula of petasinine?

C13H21NO3

What is the molecular weight of petasinine?

239.31

What is the CAS number of petasinine?

70474-33-8

What is the synthesis of petasinine known for?

Preparation of phenylurethane as colourless needles

What is the specific optical rotation of petasinine upon isolation?

[α]D +14° (c 2.5, EtOH)

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