(Q105121258)

English

1,2,4aalpha,4b,5,6,7,8,8a,9,10,10a-Dodecahydro-5beta-hydroxy-8beta,8abeta-dimethyl-4bbeta-(4-methyl-3-pentenyl)-2alpha,10aalpha-(imino-1,2-phenylene)phenanthrene-3(4H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

alkaloid

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mass

421.298079488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₉NO₂

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canonical SMILES

O=C1CC2C3(C=4C=CC=CC4NC1C3)CCC5(C)C(C)CCC(O)C25CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@@]12[C@@H](O)CC[C@@H](C)[C@]1(C)CC[C@]13C[C@H](Nc4ccccc41)C(=O)C[C@@H]23

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found in taxon

Aspergillus nomiae

1 reference

stated in

Aspernomine: a cytotoxic antiinsectan metabolite with a novel ring system from the sclerotia of Aspergillus nomius

Aspergillus nomius

1 reference

stated in

Aspernomine: a cytotoxic antiinsectan metabolite with a novel ring system from the sclerotia of Aspergillus nomius

Identifiers

InChI

InChI=1S/C28H39NO2/c1-18(2)8-7-13-28-24-16-23(30)22-17-27(24,20-9-5-6-10-21(20)29-22)15-14-26(28,4)19(3)11-12-25(28)31/h5-6,8-10,19,22,24-25,29,31H,7,11-17H2,1-4H3/t19-,22+,24-,25+,26+,27+,28-/m1/s1

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InChIKey

IVSAQJKXNVGQKB-SLDDILADSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105121258)

1,2,4aalpha,4b,5,6,7,8,8a,9,10,10a-Dodecahydro-5beta-hydroxy-8beta,8abeta-dimethyl-4bbeta-(4-methyl-3-pentenyl)-2alpha,10aalpha-(imino-1,2-phenylene)phenanthrene-3(4H)-one

Statements

Identifiers

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