(Q105194568)

English

methyl (1'S,3R,5'S,11'R,12'S)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl (1'S,3R,11'R,12'S)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate

1 reference

based on heuristic

inferred from SMILES

Methyl 6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

371.246043916 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Dehydrodaphnigraciline

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1'S,3R,5'R,11'R,12'R)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1'R,3R,5'S,11'R,12'R)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₃NO₃

0 references

canonical SMILES

O=C(OC)C1CC23C4=C(CCC41)CCC(CN(C)C2)C53COC(=CC5)CC

0 references

isomeric SMILES

CCC1=CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3)[C@@H](C(=O)OC)C[C@]42CN(C)C1

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found in taxon

Daphniphyllum oldhamii

1 reference

stated in

Alkaloids from Daphniphyllum oldhami

Daphniphyllum pentandrum

1 reference

stated in

Alkaloids from Daphniphyllum oldhami

Identifiers

InChI

InChI=1S/C23H33NO3/c1-4-17-9-10-22(14-27-17)16-7-5-15-6-8-18-19(21(25)26-3)11-23(22,20(15)18)13-24(2)12-16/h9,16,18-19H,4-8,10-14H2,1-3H3/t16-,18-,19+,22-,23+/m1/s1

0 references

InChIKey

ONAGOPFNNJDPCW-VRICWTJBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ONAGOPFNNJDPCW-VRICWTJBSA-N

(Q105194568)

methyl (1'S,3R,5'S,11'R,12'S)-6-ethyl-3'-methylspiro[2,4-dihydropyran-3,15'-3-azatetracyclo[6.5.1.11,5.011,14]pentadec-8(14)-ene]-12'-carboxylate

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