Isopteropodine

Isopteropodine

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Catalog Number ACM5171379
CAS Number 5171-37-9
Synonyms Uncarine E
IUPAC Name Methyl (1S,4aS,5aS,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Molecular Weight 368.43
Molecular Formula C21H24N2O4
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-PFDNRQJHSA-N
Purity 98%+
Storage Store in dry, low temperature, sealed, 2-8 °C.
Complexity 692
Exact Mass 368.17360725
Heavy Atom Count 27
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
Topological Polar Surface Area 67.9Ų
Custom Q&A

What is another name for Isopteropodine according to the reference?

Uncarine E

What is the chemical formula for Isopteropodine?

C21H24N2O4

At what temperature does Isopteropodine melt?

209-211 °C

What is the predicted boiling point for Isopteropodine?

555.2±50.0 °C

In what type of solvents is Isopteropodine slightly soluble?

Chloroform and Methanol

What is the color of Isopteropodine in its solid form?

Pale Yellow to Pale Beige

What is the predicted pka value for Isopteropodine?

13.56±0.60

In which plant species does Isopteropodine occur naturally?

Uncaria Tomentosa

What are the believed effects of Isopteropodine?

Antiproliferative and pro-apoptotic effects

Who determined the structure of Isopteropodine using spectroscopic methods?

Hart, Johns, and Lamberton

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