Uncarine f

CAS
14019-66-0
Catalog Number
ACM14019660
Category
Other Products
Molecular Weight
368.4
Molecular Formula
C21H24N2O4

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Specification

Synonyms
(3R,20S)-19α-Methyl-2-oxoformosanan-16-carboxylic acid methyl ester
IUPAC Name
methyl (1S,4aS,5aR,6R,10aS)-1-methyl-2-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3-1H-indole]-4-carboxylate
Canonical SMILES
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
InChI
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14-,18+,21+/m0/s1
InChI Key
JMIAZDVHNCCPDM-PMJXBNNDSA-N
Boiling Point
555.2ºC at 760mmHg
Flash Point
289.6ºC
Density
1.33g/cm³
Complexity
692
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
5
Exact Mass
368.17360725
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
27
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Isomeric SMILES
C[C@H]1[C@@H]2CN3CC[C@]4([C@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O
Monoisotopic Mass
368.17360725
Physical State
Powder
Rotatable Bond Count
2
Topological Polar Surface Area
67.9 Ų
What is the chemical name of Uncarine F?

The chemical name of Uncarine F is (3R,20S)-19α-Methyl-2-oxoformosanan-16-carboxylic acid methyl ester.

What are some synonyms for Uncarine F?

Some synonyms for Uncarine F are (1'S,3R,4'aS,5'aR,10'aS)-1,2,5',5'a,7',8',10',10'a-Octahydro-1'-methyl-2-oxospiro[3H-indole-3,6'(4'aH)-[1H]pyrano[3,4-f]indolizine]-4'-carboxylic acid methyl ester.

What is the CAS number of Uncarine F?

The CAS number of Uncarine F is 14019-66-0.

What is the molecular formula of Uncarine F?

The molecular formula of Uncarine F is C21H24N2O4.

What is the molecular weight of Uncarine F?

The molecular weight of Uncarine F is 368.43.

What is the boiling point of Uncarine F?

The boiling point of Uncarine F is predicted to be 555.2±50.0 °C.

What is the density of Uncarine F?

The density of Uncarine F is 1.33.

What is the pKa value of Uncarine F?

The pKa value of Uncarine F is predicted to be 13.56±0.60.

What is the specific rotation of Uncarine F?

The specific rotation of Uncarine F is [α]D + 84° (CHCl3).

What is the relationship of Uncarine F to other alkaloids of the same species?

Uncarine F is stereoisomeric with the other alkaloids of the same species.

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