Paxiphylline D

Catalog Number	ACM1092555026
CAS Number	1092555-02-6
Synonyms	Longistylumphylline A N-oxide
Molecular Weight	383.5
InChI	InChI=1S/C23H29NO4/c1-12-10-24(27)11-14-6-4-13-5-7-15-17(21(26)28-3)9-23(19(13)15)20(25)16(12)8-18(24)22(14,23)2/h12,14,16,18H,4-11H2,1-3H3/t12-,14-,16-,18-,22-,23+,24/m1/s1
InChI Key	KGESJSJJGMUDSQ-SUEJIMSPSA-N
Purity	95%+
Complexity	902
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	383.20965841
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
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)CC4)[O-]
Monoisotopic Mass	383.20965841
PhysicalState	Solid
Rotatable Bond Count	2
Topological Polar Surface Area	61.4 Ų

Custom Q&A

What is the product name of the compound with the CAS number 1092555-02-6?

The product name is Paxiphylline D.

What are the synonyms of Paxiphylline D?

The synonyms are Longistylumphylline A N-oxide.

What is the molecular formula of Paxiphylline D?

The molecular formula is C23H29NO4.

What is the molecular weight of Paxiphylline D?

The molecular weight is 383.49.

What is the pka value of Paxiphylline D, according to prediction?

The pka value is 3.07 ± 0.70.

What specific chemical structure does Paxiphylline D have?

It has a 1H-11,12c-Methanocyclopent[1,8]azuleno[4,5-a]indolizine-2-carboxylic acid structure.

How many methyl groups are present in the chemical structure of Paxiphylline D?

There are two methyl groups present in the structure.

What is the stereochemistry of Paxiphylline D?

It has stereochemistry with (6aS,8R,10S,11R,12aR,12bS,12cR) configuration.

What is the chemical classification of Paxiphylline D?

It falls under the category of organic compounds.

What is the classification of Paxiphylline D based on its chemical structure?

It is classified as an azulene-based alkaloid.

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