(Q105167330)

English

[(1R,2S,3S,4S,5S,6R,8R,9S,10R,13R,16S,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aconitane alkaloid

0 references

mass

419.267173284 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,3R,4S,5R,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₇NO₅

0 references

canonical SMILES

O=C(OC1C2CC3C1C(O)(CC2OC)C4CC5C6CN(CC)C4C53C(OC)CC6)C

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isomeric SMILES

CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@H](OC(C)=O)[C@H]5[C@@](O)(C[C@H]6OC)[C@@H](C[C@H]23)[C@@H]14

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found in taxon

Aconitum toxicum

1 reference

stated in

Bisnorditerpene, Norditerpene, and Lipo-alkaloids fromAconitum toxicum

Identifiers

InChI

InChI=1S/C24H37NO5/c1-5-25-11-13-6-7-19(29-4)24-15(13)9-17(22(24)25)23(27)10-18(28-3)14-8-16(24)20(23)21(14)30-12(2)26/h13-22,27H,5-11H2,1-4H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-,22+,23+,24-/m0/s1

0 references

InChIKey

MLYKFKUTKJPICF-KACIVHQVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MLYKFKUTKJPICF-KACIVHQVSA-N

(Q105167330)

[(1R,2S,3S,4S,5S,6R,8R,9S,10R,13R,16S,17R)-11-ethyl-8-hydroxy-6,16-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate

Statements

Identifiers

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