(Q105173907)

English

(1R,2S,5R,7R,8R,9R,10S,13R,16S,17R)-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

chemical compound

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type of chemical entity

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subclass of

7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecan-4-one

1 reference

based on heuristic

inferred from SMILES

mass

329.199093724 dalton

1 reference

1 reference

C₂₀H₂₇NO₃

0 references

canonical SMILES

O=C1CC2C3(CC1C(=C)C3O)C4CC5C6(C)CNC4C25C(O)CC6

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isomeric SMILES

C=C1[C@H]2C[C@]3([C@H](CC2=O)[C@@]24[C@@H](O)CC[C@@]5(C)CN[C@H]2[C@@H]3C[C@H]54)[C@@H]1O

0 references

found in taxon

Aconitum monticola

1 reference

stated in

Alkaloids of Aconitum monticola

Identifiers

InChI

InChI=1S/C20H27NO3/c1-9-10-7-19(17(9)24)11-5-13-18(2)4-3-15(23)20(13,16(11)21-8-18)14(19)6-12(10)22/h10-11,13-17,21,23-24H,1,3-8H2,2H3/t10-,11+,13-,14+,15+,16+,17-,18+,19+,20+/m1/s1

0 references

InChIKey

MWZJXBFZRGVUDV-HBUBYJLQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MWZJXBFZRGVUDV-HBUBYJLQSA-N

(Q105173907)

(1R,2S,5R,7R,8R,9R,10S,13R,16S,17R)-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

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