(Q105122281)

English

(5R)-3-[(1S,2R,4aR,6R,8S,8aS)-2-[(E)-but-2-en-2-yl]-3,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-methoxy-5-methyl-1H-pyrrol-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-(2-but-2-en-2-yl-3,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-5-methoxy-5-methyl-1H-pyrrol-2-one

1 reference

based on heuristic

inferred from SMILES

mass

385.26169398 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Ascosalipyrrolidinone B

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₅NO₃

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canonical SMILES

CC=C(C)C1C(C)=CC2CC(C)CC(C)C2C1C(=O)C1=CC(C)(OC)NC1=O

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isomeric SMILES

C/C=C(\C)[C@@H]1C(C)=C[C@@H]2C[C@H](C)C[C@H](C)[C@@H]2[C@@H]1C(=O)C1=C[C@@](C)(OC)NC1=O

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found in taxon

Ascochyta salicorniae

1 reference

stated in

Ascosalipyrrolidinone A, an antimicrobial alkaloid, from the obligate marine fungus Ascochyta salicorniae

Stagonosporopsis salicorniae

1 reference

stated in

Ascosalipyrrolidinone A, an antimicrobial alkaloid, from the obligate marine fungus Ascochyta salicorniae

Identifiers

InChI

InChI=1S/C24H35NO3/c1-8-14(3)19-16(5)11-17-10-13(2)9-15(4)20(17)21(19)22(26)18-12-24(6,28-7)25-23(18)27/h8,11-13,15,17,19-21H,9-10H2,1-7H3,(H,25,27)/b14-8+/t13-,15+,17+,19-,20+,21-,24-/m1/s1

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InChIKey

IXNHWTWSLMIMNG-IWEGNEBKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXNHWTWSLMIMNG-IWEGNEBKSA-N

(Q105122281)

(5R)-3-[(1S,2R,4aR,6R,8S,8aS)-2-[(E)-but-2-en-2-yl]-3,6,8-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-methoxy-5-methyl-1H-pyrrol-2-one

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