(Q104983520)

English

(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

aconitane alkaloid

0 references

mass

453.272652588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18R)-11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

1 reference

based on heuristic

inferred from InChI

(1R,2R,3R,4S,5R,6R,8R,9R,10R,13R,16R,17S,18S)-11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₉NO₇

0 references

canonical SMILES

OCC12CN(CC)C3C4(O)C(OC)C1C3(C(O)CC2)C5CC6C(OC)CC4(O)C5C6OC

0 references

isomeric SMILES

CCN1C[C@]2(CO)CC[C@H](O)[C@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC

0 references

found in taxon

Aconitum lycoctonum

1 reference

stated in

Isolation of norditerpenoid alkaloids from flowers of aconitum lycoctonum

Consolida orientalis

1 reference

stated in

Norditerpenoid alkaloids from Consolida orientalis and complete 1H and 13C NMR signal assignments of some lycoctonine-type alkaloids

Delphinium ajacis

1 reference

stated in

Norditerpenoid alkaloids from Consolida orientalis and complete 1H and 13C NMR signal assignments of some lycoctonine-type alkaloids

Consolida ajacis

1 reference

stated in

Norditerpenoid alkaloids from Consolida orientalis and complete 1H and 13C NMR signal assignments of some lycoctonine-type alkaloids

Delphinium pubescens

1 reference

stated in

Norditerpenoid alkaloids from Consolida orientalis and complete 1H and 13C NMR signal assignments of some lycoctonine-type alkaloids

Consolida pubescens

1 reference

stated in

Norditerpenoid alkaloids from Consolida orientalis and complete 1H and 13C NMR signal assignments of some lycoctonine-type alkaloids

Identifiers

InChI

InChI=1S/C24H39NO7/c1-5-25-10-21(11-26)7-6-15(27)23-13-8-12-14(30-2)9-22(28,16(13)17(12)31-3)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24+/m1/s1

0 references

InChIKey

DKODPYKVVJKLFU-YRYTXJGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DKODPYKVVJKLFU-YRYTXJGESA-N

(Q104983520)

(1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-13-(hydroxymethyl)-4,6,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol

Statements

Identifiers

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