(Q105150521)

English

(1R,5S,9E,11S,14S,15R)-5-hydroxy-9,13,14-trimethyl-15-[(1S)-3-methyl-1-(methylamino)butyl]-2,6-dioxobicyclo[9.4.0]pentadeca-9,12-diene-1-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-Hydroxy-9,13,14-trimethyl-15-[3-methyl-1-(methylamino)butyl]-2,6-dioxobicyclo[9.4.0]pentadeca-9,12-diene-1-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

417.287908728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₉NO₄

0 references

canonical SMILES

O=CC12C(=O)CCC(O)C(=O)CCC(=CC2C=C(C)C(C)C1C(NC)CC(C)C)C

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isomeric SMILES

CN[C@@H](CC(C)C)[C@@H]1[C@H](C)C(C)=C[C@@H]2/C=C(\C)CCC(=O)[C@@H](O)CCC(=O)[C@]21C=O

0 references

found in taxon

Aria elegans

1 reference

stated in

Spicochalasin A and New Aspochalasins from the Marine-Derived FungusSpicaria elegans

Mariannaea elegans

1 reference

stated in

Spicochalasin A and New Aspochalasins from the Marine-Derived FungusSpicaria elegans

Identifiers

InChI

InChI=1S/C25H39NO4/c1-15(2)11-20(26-6)24-18(5)17(4)13-19-12-16(3)7-8-21(28)22(29)9-10-23(30)25(19,24)14-27/h12-15,18-20,22,24,26,29H,7-11H2,1-6H3/b16-12+/t18-,19+,20+,22+,24+,25+/m1/s1

0 references

InChIKey

LEEMIFWRBUAKCM-ZOKKFPQFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEEMIFWRBUAKCM-ZOKKFPQFSA-N

(Q105150521)

(1R,5S,9E,11S,14S,15R)-5-hydroxy-9,13,14-trimethyl-15-[(1S)-3-methyl-1-(methylamino)butyl]-2,6-dioxobicyclo[9.4.0]pentadeca-9,12-diene-1-carbaldehyde

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Identifiers

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