(Q104888299)

English

[(1S,3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-3-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(3S,5R,8R,9S,11S,14R,17R,18S)-5,7-dimethyl-12-methylidene-10,15,16-trioxo-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

397.188922964 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₇NO₅

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canonical SMILES

O=C(OC1CC2(C)CN(C)C3C4C(=O)C5C(=C)CC64C(=O)C(=O)C2C3(C1)C6C5)C

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isomeric SMILES

C=C1C[C@]23C(=O)C(=O)[C@H]4[C@@]56C[C@@H](OC(C)=O)C[C@@]4(C)CN(C)[C@@H]5[C@H]2C(=O)[C@H]1C[C@@H]63

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Delphinium denudatum

1 reference

Antifungal diterpenoid alkaloids from Delphinium denudatum

Identifiers

InChI=1S/C23H27NO5/c1-10-6-22-14-5-13(10)16(26)15(22)19-23(14)8-12(29-11(2)25)7-21(3,9-24(19)4)18(23)17(27)20(22)28/h12-15,18-19H,1,5-9H2,2-4H3/t12-,13-,14+,15+,18+,19+,21-,22+,23-/m0/s1

0 references

MCKIOPXSFPCTTR-IQOZIUMQSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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