Petasinoside

Catalog Number	ACM70474349
CAS Number	70474-34-9
Molecular Weight	531.6
InChI	InChI=1S/C28H37NO9/c1-4-16(2)27(34)38-22-14-29-13-5-6-21(29)20(22)15-35-23(30)12-9-18-7-10-19(11-8-18)37-28-26(33)25(32)24(31)17(3)36-28/h4,7-12,17,20-22,24-26,28,31-33H,5-6,13-15H2,1-3H3/b12-9+,16-4+/t17-,20+,21-,22-,24-,25+,26+,28-/m0/s1
InChI Key	JGNHECWVLJXCSV-OJBZVYEASA-N
Purity	95%+
Complexity	884
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Exact Mass	531.24683176
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C=C(\C)/C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1COC(=O)/C=C/C3=CC=C(C=C3)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O
Monoisotopic Mass	531.24683176
PhysicalState	Powder
Rotatable Bond Count	10
Topological Polar Surface Area	135 Ų

Custom Q&A

What is the molecular formula of Petasinoside?

The molecular formula of Petasinoside is C28H37NO9.

What is the CAS number of Petasinoside?

The CAS number of Petasinoside is 70474-34-9.

What is the chemical property of Petasinoside in terms of boiling point?

The boiling point of Petasinoside is predicted to be 694.7±55.0 °C.

Where is Petasinoside commonly found in nature?

Petasinoside is a pyrrolizidine alkaloid that has been isolated from the stalks of Petasites japonicus Maxim.

How is Petasinoside separated from the preceding base?

Petasinoside is separated from the preceding base by column chromatography.

What is the physical appearance of Petasinoside?

Petasinoside is described as an amorphous white powder with no definite melting point.

What is the specific rotation of Petasinoside in ethyl alcohol?

The specific rotation of Petasinoside is [α] - 38° (c 1.1, EtOH).

What is the predicted density of Petasinoside?

The predicted density of Petasinoside is 1.33±0.1 g/cm3.

What is the predicted pka value of Petasinoside?

The predicted pka value of Petasinoside is 12.93±0.70.

What is the chemical structure of Petasinoside?

The chemical structure of Petasinoside is 2-Butenoic acid, 2-methyl-, (1S,2R,7aS)-1-[[[(2E)-3-[4-[(6-deoxy-α-L-mannopyranosyl)oxy]phenyl]-1-oxo-2-propenyl]oxy]methyl]hexahydro-1H-pyrrolizin-2-yl ester, (2Z)- (9CI).

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