(Q105031077)

English

methyl (1R,2R,4R,9S,17S,18R,20R,22S)-20-hydroxy-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aspidospermine / aspidofractine / kopsane alkaloid

0 references

mass

368.173607248 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄N₂O₄

0 references

canonical SMILES

O=C(OC)C1CC23C(O)CC41NC=5C=CC=CC5C64CCN(CC7OC72)C63

0 references

isomeric SMILES

COC(=O)[C@@H]1C[C@@]23[C@H]4N(CC[C@]45c4ccccc4N[C@@]15C[C@H]2O)C[C@H]1O[C@@H]13

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found in taxon

Melodinus reticulatus

1 reference

stated in

[Plant from New-Caledonia. Alkaloids of Melodinus reticulatus.]

Identifiers

InChI

InChI=1S/C21H24N2O4/c1-26-17(25)12-8-19-15(24)9-21(12)20(11-4-2-3-5-13(11)22-21)6-7-23(18(19)20)10-14-16(19)27-14/h2-5,12,14-16,18,22,24H,6-10H2,1H3/t12-,14+,15+,16-,18+,19+,20-,21-/m0/s1

0 references

InChIKey

HNUOJNHAJOCKBT-FQFMQGSZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HNUOJNHAJOCKBT-FQFMQGSZSA-N

(Q105031077)

methyl (1R,2R,4R,9S,17S,18R,20R,22S)-20-hydroxy-3-oxa-6,16-diazaheptacyclo[15.2.2.11,6.02,4.09,17.010,15.09,22]docosa-10,12,14-triene-18-carboxylate

Statements

Identifiers

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