(Q105031003)

English

methyl (2S,3S,4S)-3-(hydroxymethyl)-2-methyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-3,4-dihydro-2H-pyran-5-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 3-(hydroxymethyl)-2-methyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-3,4-dihydro-2H-pyran-5-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

366.157957184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₂N₂O₄

0 references

canonical SMILES

O=C(OC)C1=COC(C)C(CO)C1CC2=NC=CC=3C=4C=CC=CC4NC23

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isomeric SMILES

COC(=O)C1=CO[C@@H](C)[C@H](CO)[C@@H]1Cc1nccc2c1[nH]c1ccccc12

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found in taxon

Alstonia balansae

1 reference

stated in

Some alkaloids of Alstonia undulata

Identifiers

InChI

InChI=1S/C21H22N2O4/c1-12-16(10-24)15(17(11-27-12)21(25)26-2)9-19-20-14(7-8-22-19)13-5-3-4-6-18(13)23-20/h3-8,11-12,15-16,23-24H,9-10H2,1-2H3/t12-,15-,16-/m0/s1

0 references

InChIKey

HNPBJGUAULGPHG-RCBQFDQVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HNPBJGUAULGPHG-RCBQFDQVSA-N

(Q105031003)

methyl (2S,3S,4S)-3-(hydroxymethyl)-2-methyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-3,4-dihydro-2H-pyran-5-carboxylate

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