Paxiphylline E

Catalog Number	ACM1092555037
CAS Number	1092555-03-7
Synonyms	Daphnilongeranine A N-oxide
Molecular Weight	399.5
InChI	InChI=1S/C23H29NO5/c1-12-10-24(27)11-13-4-5-17-19-14(6-7-29-17)16(21(26)28-3)9-23(19)20(25)15(12)8-18(24)22(13,23)2/h12-13,15,18H,4-11H2,1-3H3/t12-,13-,15-,18-,22-,23+,24/m1/s1
InChI Key	OHPSOIUFKKLGIW-JCRWCHDVSA-N
Purity	95%+
Complexity	920
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	399.20457303
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isomeric SMILES	C[C@@H]1C[N+]2(C[C@H]3CCC4=C5C(=C(C[C@]56[C@]3([C@H]2C[C@H]1C6=O)C)C(=O)OC)CCO4)[O-]
Monoisotopic Mass	399.20457303
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	70.7 Ų

Custom Q&A

What is the product name of the chemical being referred to?

The product name is Paxiphylline E.

What are some synonyms for Paxiphylline E?

Some synonyms for Paxiphylline E are Daphnilongeranine A N-oxide and 1H-12,13c-Methanopyrano[4',3',2':1,8]azuleno[4,5-a]indolizine-2-carboxylic acid.

What is the CAS number of Paxiphylline E?

The CAS number is 1092555-03-7.

What is the molecular formula of Paxiphylline E?

The molecular formula is C23H29NO5.

What is the molecular weight of Paxiphylline E?

The molecular weight is 399.49.

What is the pKa of Paxiphylline E?

The pKa is 2.99±0.70 (Predicted).

How many nitrogen atoms are present in the molecular formula of Paxiphylline E?

There is one nitrogen atom present in the molecular formula.

What is the stereoisomeric conformation of Paxiphylline E?

The stereoisomeric conformation is (7aS,9R,11S,12R,13aR,13bS,13cS).

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