(Q105177172)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

11-Ethyl-13-(hydroxymethyl)-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol

1 reference

1 reference

453.272652588 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,3R,4R,5S,6S,8R,9R,10R,13R,16R,17S,18S)-11-ethyl-13-(hydroxymethyl)-6,16,18-trimethoxy-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,4S,5S,6S,8R,9S,10S,13S,16R,17R,18S)-11-ethyl-13-(hydroxymethyl)-6,16,18-trimethoxy-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

1 reference

inferred from InChIKey

chemical formula

C₂₄H₃₉NO₇

0 references

canonical SMILES

OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(O)C5C4(O)CC6OC

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isomeric SMILES

CCN1C[C@]2(CO)CC[C@H](OC)[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]2O

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found in taxon

Aconitum lycoctonum

1 reference

stated in

Anthranoyl-substituted Norditerpene Alkaloids from Aconitum vulparia Rchb. and Their Cytotoxic Activities

Delphinium elatum

1 reference

stated in

A norditerpenoid alkaloid from Delphinium elatum

Identifiers

InChI

InChI=1S/C24H39NO7/c1-5-25-10-21(11-26)7-6-15(31-3)23-13-8-12-14(30-2)9-22(28,16(13)17(12)27)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

NCFXPSTWPUGLEA-YRYTXJGESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NCFXPSTWPUGLEA-YRYTXJGESA-N

(Q105177172)

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

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Identifiers

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