(Q105373055)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

449.277737968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChIKey

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₉NO₆

0 references

canonical SMILES

O=C(OC1C2CC3C1C(O)(CC2OC)C4CC5C6(COC)CN(CC)C4C35C(O)CC6)C

0 references

isomeric SMILES

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

0 references

found in taxon

Aconitum nemorum

1 reference

stated in

Alkaloids ofAconitum saposhnikovii andA. karacolicum

Identifiers

InChI

InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16+,17+,18-,19-,20-,21+,22-,23+,24+,25-/m1/s1

0 references

InChIKey

ZEBMMHUDQRRILP-BPJPZMDHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZEBMMHUDQRRILP-BPJPZMDHSA-N

(Q105373055)

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

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