(Q105122766)

English

[(1S,2R,3S,6S,9R,10S,11R,14R,17S,18R)-12-ethyl-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-9-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

alkaloid

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mass

417.25152322 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

8-Acetylheterophyllisine

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based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₅NO₅

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canonical SMILES

O=C(OC12CCC3OC(=O)C2C(C3)C45C(OC)CCC6(C)CN(CC)C5C1CC64)C

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isomeric SMILES

CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@](OC(C)=O)([C@H]5C(=O)O6)[C@@H](C[C@@H]32)[C@@H]14

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found in taxon

Delphinium denudatum

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stated in

Antifungal diterpenoid alkaloids from Delphinium denudatum

Identifiers

InChI

InChI=1S/C24H35NO5/c1-5-25-12-22(3)8-7-18(28-4)24-15-10-14-6-9-23(30-13(2)26,19(15)21(27)29-14)16(20(24)25)11-17(22)24/h14-20H,5-12H2,1-4H3/t14-,15+,16-,17+,18-,19+,20+,22-,23+,24+/m0/s1

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InChIKey

IYIKMJOMHPPBMO-ZXKBKIHHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IYIKMJOMHPPBMO-ZXKBKIHHSA-N

1 reference

(Q105122766)

[(1S,2R,3S,6S,9R,10S,11R,14R,17S,18R)-12-ethyl-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-9-yl] acetate

Statements

Identifiers

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