(Q105122801)

English

[(1R,4S,6R,7S,17R)-4-Ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4-Ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

395.194402268 dalton

1 reference

1 reference

C₂₀H₂₉NO₇

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canonical SMILES

O=C(OC1(C(=O)OCC2=CCN3CCC(OC(=O)C(O)(CC)CC1C)C23)C)C

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isomeric SMILES

CC[C@]1(O)C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23

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found in taxon

Senecio ruwenzoriensis

1 reference

stated in

Ruwenine and ruzorine: Pyrrolizidine alkaloids of Senecio ruwenzoriensis

Identifiers

InChI

InChI=1S/C20H29NO7/c1-5-20(25)10-12(2)19(4,28-13(3)22)17(23)26-11-14-6-8-21-9-7-15(16(14)21)27-18(20)24/h6,12,15-16,25H,5,7-11H2,1-4H3/t12-,15-,16-,19+,20+/m1/s1

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InChIKey

IYLGZMTXKJYONK-OZZRQTCFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IYLGZMTXKJYONK-OZZRQTCFSA-N

SureChEMBL ID

SCHEMBL152919

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IYLGZMTXKJYONK-OZZRQTCFSA-N

1 reference

(Q105122801)

[(1R,4S,6R,7S,17R)-4-Ethyl-4-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-7-yl] acetate

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Identifiers

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