(Q105183561)

English

(1S,4E,6S,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Alkaloid from Senecio uspallatensis (chachacoma) plant

1 reference

based on heuristic

inferred from SMILES

4-Ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

1 reference

based on heuristic

inferred from SMILES

mass

351.16818752 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,4Z,6R,7S,16S,17S)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

1 reference

1 reference

(1S,4E,6R,7R,16R,17R)-4-Ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

1 reference

1 reference

C₁₈H₂₅NO₆

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canonical SMILES

O=C1OC2C(O)CN3CC=C(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)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23

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found in taxon

Crotalaria capensis

1 reference

stated in

Pyrrolizidine alkaloids from seeds ofCrotalaria capensis

Identifiers

InChI

InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4+/t10-,13+,14+,15+,18+/m0/s1

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InChIKey

NPYPUYCITBTPSF-QKHRKWOFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPYPUYCITBTPSF-QKHRKWOFSA-N

1 reference

(Q105183561)

(1S,4E,6S,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione

Statements

Identifiers

Sitelinks

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