(Q125617328)

English

(1S,5E,8S,10E,12S,13S,16S,17S)-17-benzyl-13-hydroxy-6,8,14,15-tetramethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10,14-triene-3,7,19-trione

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

463.23587315599997 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,5E,8R,10E,12R,13R,16R,17R)-17-benzyl-13-hydroxy-6,8,14,15-tetramethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10,14-triene-3,7,19-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₃NO₅

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canonical SMILES

O=C1OC23C(=O)NC(CC=4C=CC=CC4)C3C(=C(C)C(O)C2C=CCC(C(=O)C(=CC1)C)C)C

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isomeric SMILES

CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C/C=C(\C)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O

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found in taxon

Aspergillus

1 reference

stated in

Metabolites from the Plant Endophytic Fungus Aspergillus sp. CPCC 400735 and Their Anti-HIV Activities.

Identifiers

InChI

InChI=1S/C28H33NO5/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)34-23(30)14-13-17(2)25(16)31/h5-8,10-13,16,21-22,24,26,32H,9,14-15H2,1-4H3,(H,29,33)/b12-8+,17-13+/t16-,21-,22-,24-,26+,28+/m0/s1

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InChIKey

ZXLCFNNJGGXTCQ-PYMGKZKNSA-N

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2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

ZXLCFNNJGGXTCQ-PYMGKZKNSA-N

(Q125617328)

(1S,5E,8S,10E,12S,13S,16S,17S)-17-benzyl-13-hydroxy-6,8,14,15-tetramethyl-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10,14-triene-3,7,19-trione

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