(Q105322077)

English

[(1R,2S,5R,8R,9R,10S,11R,13R,14S,15R,16R)-7-ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-14-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(7-Ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-14-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

401.2566086 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₅NO₄

0 references

canonical SMILES

O=C(OC1C2C(=C)C(O)C3(CC2)C4CC5C6(C)CN(CC)C4C5(C(O)CC6)C13)C

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isomeric SMILES

C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3[C@H]2OC(C)=O

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found in taxon

Aconitum leucostomum

1 reference

stated in

Diterpenoid Alkaloids fromAconitum leucostomum

Aconitum barbatum

1 reference

stated in

Alkaloids fromAconitum barbatumvar.puberulum

Identifiers

InChI

InChI=1S/C24H35NO4/c1-5-25-11-22(4)8-7-17(27)24-16(22)10-15(20(24)25)23-9-6-14(12(2)21(23)28)18(19(23)24)29-13(3)26/h14-21,27-28H,2,5-11H2,1,3-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22+,23+,24-/m1/s1

0 references

InChIKey

WYDGCJLTZZIEHA-RGBYBVADSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WYDGCJLTZZIEHA-RGBYBVADSA-N

(Q105322077)

[(1R,2S,5R,8R,9R,10S,11R,13R,14S,15R,16R)-7-ethyl-2,11-dihydroxy-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecan-14-yl] acetate

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Identifiers

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