(Q105185896)

English

(21S)-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

22-Methyl-15,29,31-trioxa-7,22-diazaoctacyclo[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

532.199821996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₂₈N₂O₅

0 references

canonical SMILES

OC1=CC=C2C=C1OC3=CC=C(C=C3)CC4C5=C6OC7=CC=8C(=NCCC8C=C7OC6=C(O)C=C5CCN4C)C2

0 references

isomeric SMILES

CN1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)CC1=NCCc2cc(c(cc21)O4)O3

0 references

found in taxon

Cocculus pendulus

3 references

stated in

The alkaloidal profile of cocculus pendulus

stated in

The alkaloidal profile of cocculus pendulus

stated in

Bisbenzylisoquinoline alkaloids from Cocculus pendulus.

Identifiers

InChI

InChI=1S/C33H28N2O5/c1-35-11-9-21-15-27(37)32-33-31(21)25(35)13-18-2-5-22(6-3-18)38-28-14-19(4-7-26(28)36)12-24-23-17-30(40-33)29(39-32)16-20(23)8-10-34-24/h2-7,14-17,25,36-37H,8-13H2,1H3/t25-/m0/s1

0 references

InChIKey

NUJBTMSUMGISFY-VWLOTQADSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NUJBTMSUMGISFY-VWLOTQADSA-N

(Q105185896)

(21S)-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[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

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