Fissistigine A

Catalog Number	ACM70420585
CAS Number	70420-58-5
Molecular Weight	311.3
InChI	InChI=1S/C18H17NO4/c1-21-11-4-10-5-12-15-9(2-3-19-12)6-14-18(23-8-22-14)17(15)16(10)13(20)7-11/h4,6-7,12,19-20H,2-3,5,8H2,1H3/t12-/m1/s1
InChI Key	PTEWWARRGIJHQK-GFCCVEGCSA-N
Purity	95%+
Complexity	460
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	311.11575802
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	COC1=CC2=C(C(=C1)O)C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5
Monoisotopic Mass	311.11575802
PhysicalState	Powder
Rotatable Bond Count	1
Topological Polar Surface Area	60 Ų

Custom Q&A

What is the chemical name of the compound with the CAS number 70420-58-5?

5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinolin-12-ol, 6,7,7a,8-tetrahydro-10-methoxy-, (7aR)-

What is the synonym of the compound with CAS number 70420-58-5?

Fissistigine A

What is the molecular formula of Fissistigine A?

C18H17NO4

What is the molecular weight of Fissistigine A?

311.33

What is the predicted boiling point of Fissistigine A?

558.6±50.0 °C

What is the predicted density of Fissistigine A?

1.369±0.06 g/cm3

What is the predicted pka value of Fissistigine A?

9.01±0.20

How many oxygen atoms are present in the molecular formula of Fissistigine A?

4 (Oxygen atoms)

What is the stereoisomer designation for Fissistigine A?

(7aR)-

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