(Q115972058)

English

(3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]pyrrolidine-2,4-dione

chemical compound

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instance of

type of chemical entity

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subclass of

(3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

373.225308472 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1S)-1-hydroxyethyl]pyrrolidine-2,4-dione

1 reference

1 reference

(3E,5S)-3-[[(1R,2R,4aR,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]pyrrolidine-2,4-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₁NO₄

0 references

canonical SMILES

O=C1NC(C(=O)C1=C(O)C2(C)C(C=CC)C=CC3CC(C)CCC32)C(O)C

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isomeric SMILES

C/C=C/[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)/C(O)=C1\C(=O)N[C@@H]([C@@H](C)O)C1=O

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found in taxon

Cordyceps farinosa

1 reference

stated in

Paecilosetin Derivatives as Potent Antimicrobial Agents from Isaria farinosa

Identifiers

InChI

InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13-,14-,15-,16-,18+,22-/m1/s1

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InChIKey

MOMBVLIMWZDBMW-GQPZWNIBSA-N

0 references

1 reference

3 January 2023

inferred from InChIKey

(Q115972058)

(3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]pyrrolidine-2,4-dione

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