(Q105243248)

English

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

chemical compound

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instance of

type of chemical entity

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1 reference

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

423.262087904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₇NO₆

0 references

canonical SMILES

OCC12CN(CC)C3C4C(OC)C1C3(C(O)CC2)C5CC6C(O)C5C4(O)CC6OC

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isomeric SMILES

CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@H]5[C@H]6O)[C@@H]([C@@H](OC)[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/C23H37NO6/c1-4-24-9-21(10-25)6-5-14(26)23-12-7-11-13(29-2)8-22(28,15(12)17(11)27)16(20(23)24)18(30-3)19(21)23/h11-20,25-28H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17+,18-,19-,20-,21+,22+,23+/m1/s1

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InChIKey

RQCXQGUVPFYJCE-DNRCIBTJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RQCXQGUVPFYJCE-DNRCIBTJSA-N

(Q105243248)

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

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