(Q104399224)

English

Pendulinine

group of stereoisomers with the chemical formula C₃₅H₃₄N₂O₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

isoquinoline alkaloid

1 reference

inferred from

isoquinoline alkaloid

mass

578.241686808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₃₄N₂O₆

0 references

canonical SMILES

OC1=CC=C2C=C1OC3=CC=C(C=C3)CC4C5=C6OC7=C(O)C=C8C(=C7OC6=C(OC)C=C5CCN4C)C(N(C)CC8)C2

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isomeric SMILES

COc1cc2c3c4c1Oc1c(c(O)cc5c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC5)O4

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found in taxon

Cocculus pendulus

1 reference

stated in

Alkaloids of Cocculus pendulus

Identifiers

InChI

InChI=1S/C35H34N2O6/c1-36-13-11-22-18-29(40-3)33-35-31(22)24(36)14-19-4-7-23(8-5-19)41-28-16-20(6-9-26(28)38)15-25-30-21(10-12-37(25)2)17-27(39)32(42-35)34(30)43-33/h4-9,16-18,24-25,38-39H,10-15H2,1-3H3/t24?,25-/m0/s1

0 references

InChIKey

SAOOVIWEVMRLNC-BBMPLOMVSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

SAOOVIWEVMRLNC-BBMPLOMVSA-N

1 reference

(Q104399224)

Pendulinine

Statements

Identifiers

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