Neopetasitenine

Catalog Number	ACM60409510
CAS Number	60409-51-0
Synonyms	(15R,20R)-12-Acetoxy-15,20-epoxy-15,20-dihydro-4-methyl-4,8-secosenecionan-8,11,16-trione
Molecular Weight	423.5
InChI	InChI=1S/C21H29NO8/c1-12-10-21(13(2)29-21)19(26)28-16-7-9-22(5)8-6-15(17(16)24)11-27-18(25)20(12,4)30-14(3)23/h6,12-13,16H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21-/m1/s1
InChI Key	RNNVXCSFOWGBQP-MWTIQZJTSA-N
Purity	95%+
Complexity	792
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	423.18931688
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@@H]1C[C@@]2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)OC(=O)C)C
Monoisotopic Mass	423.18931688
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	112 Ų

Custom Q&A

What is the chemical formula of Neopetasitenine (ACETYLFUKINOTOXIN)?

The chemical formula of Neopetasitenine (ACETYLFUKINOTOXIN) is C21H29NO8.

What is the molecular weight of Neopetasitenine (ACETYLFUKINOTOXIN)?

The molecular weight of Neopetasitenine (ACETYLFUKINOTOXIN) is 423.46 g/mol.

What is the CAS number of Neopetasitenine (ACETYLFUKINOTOXIN)?

The CAS number of Neopetasitenine (ACETYLFUKINOTOXIN) is 60409-51-0.

What are some synonyms of Neopetasitenine (ACETYLFUKINOTOXIN)?

Some synonyms of Neopetasitenine (ACETYLFUKINOTOXIN) include ACETYLFUKINOTOXIN, Neopetasitenine[neutral], and Spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione, 7-(acetyloxy)-3',6,7,14-tetramethyl-, (1R,2'R,3'R,6R,7R)-.

What is the boiling point of Neopetasitenine (ACETYLFUKINOTOXIN)?

The predicted boiling point of Neopetasitenine (ACETYLFUKINOTOXIN) is 626.3±55.0 °C.

What is the predicted density of Neopetasitenine (ACETYLFUKINOTOXIN)?

The predicted density of Neopetasitenine (ACETYLFUKINOTOXIN) is 1.27±0.1 g/cm3.

What is the pKa value of Neopetasitenine (ACETYLFUKINOTOXIN)?

The predicted pKa value of Neopetasitenine (ACETYLFUKINOTOXIN) is 6.73±0.70.

In which plant does Neopetasitenine occur naturally?

Neopetasitenine occurs naturally in Petasites japonicus Maxim.

What is the hepatotoxic activity of Neopetasitenine?

Neopetasitenine possesses strong hepatotoxic activity.

What type of compound is Neopetasitenine according to ChEBI?

Neopetasitenine is classified as an azaspiro compound according to ChEBI.

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