(Q104888215)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[(3S,5R,8R,14S,18R)-5,7-dimethyl-12-methylidene-10,16-dioxo-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

mass

383.209658408 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₉NO₄

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canonical SMILES

O=C(OC1CC2(C)CN(C)C3C4C(=O)C5C(=C)CC64CC(=O)C2C3(C1)C6C5)C

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isomeric SMILES

C=C1C[C@@]23CC(=O)[C@@H]4[C@@]5(C)C[C@H](OC(C)=O)C[C@]46[C@@H]([C@H]2C(=O)[C@H]1C[C@H]36)N(C)C5

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found in taxon

Delphinium denudatum

1 reference

stated in

Antifungal diterpenoid alkaloids from Delphinium denudatum

Aconitum heterophyllum

1 reference

stated in

Reassignment of the Structure of Tuguaconitine from Aconitum sibiricum

Identifiers

InChI

InChI=1S/C23H29NO4/c1-11-6-22-9-15(26)19-21(3)7-13(28-12(2)25)8-23(19)16(22)5-14(11)18(27)17(22)20(23)24(4)10-21/h13-14,16-17,19-20H,1,5-10H2,2-4H3/t13-,14-,16+,17+,19+,20+,21-,22-,23+/m0/s1

0 references

InChIKey

CKNLFSFBGRRFCB-SQDVDBQSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKNLFSFBGRRFCB-SQDVDBQSSA-N

(Q104888215)

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

Statements

Identifiers

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