(Q104945617)

English

(1R,4Z,6R,7S,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(4Z,11S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from SMILES

(1R,4E,7R,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from SMILES

(4E)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from SMILES

(1S,4Z,6R,7S,11R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from SMILES

12-Hydroxy-1,2-dihydrosenecionan-11,16-dione

1 reference

based on heuristic

inferred from SMILES

mass

337.188922964 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,4Z,6R,7S,11S,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from InChI

(1R,4E,6S,7R,11R,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from InChI

(1R,4Z,6R,7R,11R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from InChI

(1R,4Z,6S,7R,11S,17S)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₇NO₅

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canonical SMILES

O=C1OC2CCN3CCC(COC(=O)C(O)(C)C(C)CC1=CC)C32

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isomeric SMILES

C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23

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found in taxon

Ligularia dentata

1 reference

stated in

Studies on constituents of crude drugs. XV. New pyrrolizidine alkaloids from Ligularia dentata.

Identifiers

InChI

InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18+/m1/s1

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InChIKey

BTHCJHQOYFUIMG-OGSIMJPISA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

BTHCJHQOYFUIMG-OGSIMJPISA-N

1 reference

(Q104945617)

(1R,4Z,6R,7S,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

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