(Q105327257)

English

(1R,9R,10S,11R,12S)-N-(4-benzamidobutyl)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide

chemical compound

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instance of

type of chemical entity

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subclass of

N-(4-benzamidobutyl)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide

1 reference

based on heuristic

inferred from SMILES

mass

652.27846624 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,9R,10S,11R,12R)-N-(4-benzamidobutyl)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,9R,10R,11R,12R)-N-(4-benzamidobutyl)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,9R,10S,11S,12R)-N-(4-benzamidobutyl)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

desacetylpyramidaglain D

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₄₀N₂O₈

0 references

canonical SMILES

COc1ccc(C23Oc4cc(OC)cc(OC)c4C(O)(C(C(=O)NCCCCNC(=O)c4ccccc4)C2c2ccccc2)C3O)cc1

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isomeric SMILES

COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@](O)([C@H](C(=O)NCCCCNC(=O)c4ccccc4)[C@H]2c2ccccc2)[C@@H]3O)cc1

0 references

found in taxon

Aglaia forbesii

2 references

stated in

Flavaglines and triterpenoids from the leaves of Aglaia forbesii

stated in

Flavaglines and triterpenoids from the leaves of Aglaia forbesii

Identifiers

InChI

InChI=1S/C38H40N2O8/c1-45-27-18-16-26(17-19-27)38-31(24-12-6-4-7-13-24)33(35(42)40-21-11-10-20-39-34(41)25-14-8-5-9-15-25)37(44,36(38)43)32-29(47-3)22-28(46-2)23-30(32)48-38/h4-9,12-19,22-23,31,33,36,43-44H,10-11,20-21H2,1-3H3,(H,39,41)(H,40,42)/t31-,33+,36+,37+,38+/m1/s1

0 references

InChIKey

XFSOIGVOVJTBKR-JKJLWJHYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XFSOIGVOVJTBKR-JKJLWJHYSA-N

(Q105327257)

(1R,9R,10S,11R,12S)-N-(4-benzamidobutyl)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxamide

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