(Q104945610)

English

(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

group of stereoisomers with the chemical formula C₁₈H₂₇NO₅

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Statements

instance of

group of stereoisomers

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subclass of

pyrrolizidine alkaloid

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inferred from

pyrrolizidine alkaloid

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337.18892296399997 dalton

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based on heuristic

inferred from isomeric SMILES

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)C23

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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-AMPYMHEGSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BTHCJHQOYFUIMG-AMPYMHEGSA-N

1 reference

(Q104945610)

(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

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