(Q104888257)

English

(2R)-2beta-Methyl-1',2'-didehydro-7,6'-epoxyoxyacanthan-6,12'-diol 2-oxide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(21S)-22-methyl-22-oxido-15,29,31-trioxa-7-aza-22-azoniaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene-13,27-diol

1 reference

based on heuristic

inferred from SMILES

mass

548.194736616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-2alpha-Methyl-1',2'-didehydro-7,6'-epoxyoxyacanthan-6,12'-diol 2-oxide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₂₈N₂O₆

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canonical SMILES

[O-][N+]1(C)CCC2=CC(O)=C3OC4=CC5=C6C=C4OC3=C2C1CC7=CC=C(OC8=CC(=CC=C8O)CC6=NCC5)C=C7

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isomeric SMILES

C[N@@+]1([O-])CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)CC1=NCCc2cc(c(cc21)O4)O3

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found in taxon

Cocculus pendulus

1 reference

stated in

New cholinesterase inhibiting bisbenzylisoquinoline alkaloids from Cocculus pendulus

Identifiers

InChI

InChI=1S/C33H28N2O6/c1-35(38)11-9-21-15-27(37)32-33-31(21)25(35)13-18-2-5-22(6-3-18)39-28-14-19(4-7-26(28)36)12-24-23-17-30(41-33)29(40-32)16-20(23)8-10-34-24/h2-7,14-17,25,36-37H,8-13H2,1H3/t25-,35+/m0/s1

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InChIKey

ODCQVSILQKLLGC-YQPGIBNTSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ODCQVSILQKLLGC-YQPGIBNTSA-N

1 reference

(Q104888257)

(2R)-2beta-Methyl-1',2'-didehydro-7,6'-epoxyoxyacanthan-6,12'-diol 2-oxide

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Identifiers

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