(Q105323959)

English

(25E)-32,39-dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-27-aza-9-azoniaoctacyclo[24.6.2.23,6.221,24.112,19.05,10.014,18.030,34]nonatriaconta-1(32),3(39),4,6(38),9,12,14(18),19(37),21,23,25,28,30,33,35-pentadecaen-4-olate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

isoquinoline alkaloid

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mass

616.220951364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₂N₂O₇

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canonical SMILES

O=C1C=2OC3=CC4=C(C=CN(C4=CC=5C=CC(OC=6C=C(C=C7OCOC67)CC8=C1C(=CC2OC)CCN8C)=CC5)C)C=C3OC

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isomeric SMILES

COC1=C2Oc3cc4c(cc3OC)C=CN(C)/C4=C/c3ccc(cc3)Oc3cc(cc4c3OCO4)CC3=C(C2=O)C(=C1)CCN3C

1 reference

1 reference

Alkaloids of Daphnandra dielsii. II. Daphnine. Isolation and Characterization

Daphnandra repandula

1 reference

stated in

Daphnine, a unique bisbenzylisoquinoline alkaloid: X-ray crystal structure of its dihydroiodide

Identifiers

InChI

InChI=1S/C37H32N2O7/c1-38-11-9-23-17-29(41-3)30-19-26(23)27(38)13-21-5-7-25(8-6-21)45-33-16-22(15-32-36(33)44-20-43-32)14-28-34-24(10-12-39(28)2)18-31(42-4)37(46-30)35(34)40/h5-9,11,13,15-19H,10,12,14,20H2,1-4H3/b27-13+

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InChIKey

XAJNVBMWCKYWIM-UVHMKAGCSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XAJNVBMWCKYWIM-UVHMKAGCSA-N

1 reference

(Q105323959)

(25E)-32,39-dimethoxy-9,27-dimethyl-2,15,17,20-tetraoxa-27-aza-9-azoniaoctacyclo[24.6.2.23,6.221,24.112,19.05,10.014,18.030,34]nonatriaconta-1(32),3(39),4,6(38),9,12,14(18),19(37),21,23,25,28,30,33,35-pentadecaen-4-olate

Statements

Identifiers

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