(Q105216434)

English

methyl (1R,4aS,5aS,6S,10aS)-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

0 references

mass

368.173607248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,4aR,5aS,6S,10aR)-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,4aS,5aR,6R,10aS)-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1R,4aS,5aR,6S,10aS)-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄N₂O₄

0 references

canonical SMILES

O=C(OC)C1=COC(C)C2CN3CCC4(NC=5C=CC=CC5C4=O)C3CC12

0 references

isomeric SMILES

COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(Nc5ccccc5C4=O)[C@@H]3C[C@H]12

0 references

found in taxon

Uncaria elliptica

2 references

stated in

Alkaloids of uncaria elliptica

stated in

Alkaloids of uncaria elliptica

Identifiers

InChI

InChI=1S/C21H24N2O4/c1-12-15-10-23-8-7-21(19(24)13-5-3-4-6-17(13)22-21)18(23)9-14(15)16(11-27-12)20(25)26-2/h3-6,11-12,14-15,18,22H,7-10H2,1-2H3/t12-,14+,15+,18+,21+/m1/s1

0 references

InChIKey

PXVFCFIYPGUUNJ-TVYXCLMRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXVFCFIYPGUUNJ-TVYXCLMRSA-N

(Q105216434)

methyl (1R,4aS,5aS,6S,10aS)-1-methyl-3'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,2'-1H-indole]-4-carboxylate

Statements

Identifiers

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