(Q105159590)

English

[(1R,2R,3R,4R,5R,6S,8R,9S,10S,13R,16R,17S,18S)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

chemical compound

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type of chemical entity

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1 reference

[(2S,3S,5R,8R,13S,17S)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

1 reference

1 reference

627.340732148 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₅H₄₉NO₉

0 references

canonical SMILES

O=C(OC1C2CC3C1C(OC(=O)C)(CC2OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6)C7=CC=C(OC)C=C7

0 references

isomeric SMILES

CCN1C[C@@]2(COC)CC[C@@H](OC)[C@@]34[C@@H]1[C@@H]([C@@H](OC)[C@@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccc(OC)cc1

0 references

found in taxon

Aconitum carmichaelii

1 reference

stated in

Norditerpenoid alkaloids from the processed tubers of Aconitum carmichaeli

Identifiers

InChI

InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,33-,34-,35-/m1/s1

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InChIKey

LYUPEIXJYAJCHL-WTOCXHEVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LYUPEIXJYAJCHL-WTOCXHEVSA-N

(Q105159590)

[(1R,2R,3R,4R,5R,6S,8R,9S,10S,13R,16R,17S,18S)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

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