(Q105328500)

English

methyl (1S,9S,11S,12E,18S)-12-ethylidene-18-(hydroxymethyl)-8,15-diazapentacyclo[9.6.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

0 references

mass

354.194342692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₃

0 references

canonical SMILES

O=C(OC)C1(CO)C2C(=CC)CCN3CCC41C=5C=CC=CC5NC34C2

0 references

isomeric SMILES

C/C=C1\CCN2CC[C@@]34c5ccccc5N[C@@]23C[C@@H]1[C@]4(CO)C(=O)OC

0 references

found in taxon

Kopsia singapurensis

2 references

stated in

Biologically active aspidofractinine, rhazinilam, akuammiline, and vincorine alkaloids from Kopsia

stated in

Biologically active aspidofractinine alkaloids from Kopsia singapurensis

Identifiers

InChI

InChI=1S/C21H26N2O3/c1-3-14-8-10-23-11-9-20-15-6-4-5-7-17(15)22-21(20,23)12-16(14)19(20,13-24)18(25)26-2/h3-7,16,22,24H,8-13H2,1-2H3/b14-3+/t16-,19+,20-,21-/m0/s1

0 references

InChIKey

XIILJJFJGOTIAO-WTHQATASSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XIILJJFJGOTIAO-WTHQATASSA-N

(Q105328500)

methyl (1S,9S,11S,12E,18S)-12-ethylidene-18-(hydroxymethyl)-8,15-diazapentacyclo[9.6.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate

Statements

Identifiers

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