(Q105283826)

English

(1S,12R,20R,21R,22S)-20-hydroxy-3,16,17-trimethoxy-N,N-dimethyl-22-phenyl-5,7,11,19-tetraoxahexacyclo[10.7.3.01,12.02,10.04,8.013,18]docosa-2,4(8),9,13(18),14,16-hexaene-21-carboxamide

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

20-hydroxy-3,16,17-trimethoxy-N,N-dimethyl-22-phenyl-5,7,11,19-tetraoxahexacyclo[10.7.3.01,12.02,10.04,8.013,18]docosa-2,4(8),9,13(18),14,16-hexaene-21-carboxamide

1 reference

based on heuristic

inferred from SMILES

mass

547.184231508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₂₉NO₉

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canonical SMILES

O=C(N(C)C)C1C(O)C23OC4=C(OC)C(OC)=CC=C4C3(OC5=CC=6OCOC6C(OC)=C52)C1C=7C=CC=CC7

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isomeric SMILES

COc1ccc2c(c1OC)O[C@]13c4c(cc5c(c4OC)OCO5)O[C@]21[C@H](c1ccccc1)[C@@H](C(=O)N(C)C)[C@H]3O

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found in taxon

Aglaia oligophylla

2 references

stated in

Cyclorocaglamide, the first bridged cyclopentatetrahydrobenzofuran, and a related "open chain" rocaglamide derivative from Aglaia oligophylla

stated in

Cyclorocaglamide, the first bridged cyclopentatetrahydrobenzofuran, and a related "open chain" rocaglamide derivative from Aglaia oligophylla

Identifiers

InChI

InChI=1S/C30H29NO9/c1-31(2)28(33)20-21(15-9-7-6-8-10-15)29-16-11-12-17(34-3)24(35-4)23(16)40-30(29,27(20)32)22-18(39-29)13-19-25(26(22)36-5)38-14-37-19/h6-13,20-21,27,32H,14H2,1-5H3/t20-,21-,27-,29+,30+/m1/s1

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InChIKey

VCNFLHICFOZCQD-VEHKLXOOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VCNFLHICFOZCQD-VEHKLXOOSA-N

1 reference

NMRShiftDB structure ID

10589

1 reference

matched by identifier from

InChIKey

VCNFLHICFOZCQD-VEHKLXOOSA-N

(Q105283826)

(1S,12R,20R,21R,22S)-20-hydroxy-3,16,17-trimethoxy-N,N-dimethyl-22-phenyl-5,7,11,19-tetraoxahexacyclo[10.7.3.01,12.02,10.04,8.013,18]docosa-2,4(8),9,13(18),14,16-hexaene-21-carboxamide

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