(Q104946195)

English

(1S,5S,6R,9S,10S,12R,14S,16R)-10-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-5-(hydroxymethyl)-11-methylidenepentacyclo[10.3.2.01,6.09,14.09,16]heptadecan-15-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-Hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-5-(hydroxymethyl)-11-methylidenepentacyclo[10.3.2.01,6.09,14.09,16]heptadecan-15-one

1 reference

based on heuristic

inferred from SMILES

mass

389.2566086 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₅NO₄

0 references

canonical SMILES

O=C1C2CC3C(=C)C(O)C42CCC5C(CO)(CN(C)CCO)CCCC15C4C3

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isomeric SMILES

C=C1[C@H](O)[C@]23CC[C@@H]4[C@](CO)(CN(C)CCO)CCC[C@]45C(=O)[C@H]2C[C@H]1C[C@H]35

0 references

found in taxon

Aconitum alboviolaceum

1 reference

stated in

A diterpenoid alkaloid from Aconitum alboviolaceum

Identifiers

InChI

InChI=1S/C23H35NO4/c1-14-15-10-16-20(28)23-6-3-5-21(13-26,12-24(2)8-9-25)17(23)4-7-22(16,19(14)27)18(23)11-15/h15-19,25-27H,1,3-13H2,2H3/t15-,16+,17+,18+,19-,21-,22+,23-/m0/s1

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InChIKey

BUOJRCRGOKTNJI-VNIMTMKESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104946195)

(1S,5S,6R,9S,10S,12R,14S,16R)-10-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-5-(hydroxymethyl)-11-methylidenepentacyclo[10.3.2.01,6.09,14.09,16]heptadecan-15-one

Statements

Identifiers

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