(Q105277852)

English

methyl (1S,9R,16S,17S,18R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

1 reference

1 reference

370.189257312 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₆N₂O₄

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canonical SMILES

O=C(OC)C1(O)C(O)C23CCCN4CCC5(C=6C=CC=CC6NC15CC2)C43

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isomeric SMILES

COC(=O)[C@]1(O)[C@@H](O)[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43

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found in taxon

Kopsia singapurensis

2 references

stated in

Biologically active aspidofractinine alkaloids from Kopsia singapurensis

stated in

Biologically active aspidofractinine alkaloids from Kopsia singapurensis

Identifiers

InChI

InChI=1S/C21H26N2O4/c1-27-17(25)21(26)16(24)18-7-4-11-23-12-10-19(15(18)23)13-5-2-3-6-14(13)22-20(19,21)9-8-18/h2-3,5-6,15-16,22,24,26H,4,7-12H2,1H3/t15-,16-,18-,19+,20-,21+/m0/s1

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InChIKey

URMDECIKIVKLOC-AOWGFEFVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

URMDECIKIVKLOC-AOWGFEFVSA-N

1 reference

(Q105277852)

methyl (1S,9R,16S,17S,18R,21R)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

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Identifiers

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