(Q105168828)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

467.288302652 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₄₁NO₇

0 references

canonical SMILES

OC1C2CC3C1C(O)(CC2OC)C4(O)C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6

0 references

isomeric SMILES

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

0 references

found in taxon

Delphinium glaucum

1 reference

stated in

THE ALKALOIDS OF DELPHINIUM BROWNII RYDB: THE STRUCTURE OF BROWNIINE

Identifiers

InChI

InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16-,17-,18-,19-,20-,21+,22+,23-,24+,25-/m0/s1

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InChIKey

MODXUQZMEBLSJD-QLPMSXOHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MODXUQZMEBLSJD-QLPMSXOHSA-N

(Q105168828)

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

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