(Q115971350)

English

(1S,5S,6R,7E,9S,11E,13S,16S,17R,18S)-5,6-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,20-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

516.29880776 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₃₂H₄₀N₂O₄

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canonical SMILES

O=C1NC(CC2=CNC=3C=CC=CC32)C4C(C(=CC5C=CCC(C=C(C)C(O)C(O)CCC(=O)C154)C)C)C

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isomeric SMILES

CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)[C@@H](O)CCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C

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found in taxon

Chaetomium globosum

1 reference

stated in

Armochaetoglobins A–J: Cytochalasan Alkaloids from Chaetomium globosum TW1-1, a Fungus Derived from the Terrestrial Arthropod Armadillidium vulgare

Identifiers

InChI

InChI=1S/C32H40N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26-27,29-30,33,35,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7+,20-14+/t18-,21+,23-,26-,27-,29-,30+,32+/m0/s1

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InChIKey

PIJSZACUNSKNMK-RUKWKZBOSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

PIJSZACUNSKNMK-RUKWKZBOSA-N

1 reference

(Q115971350)

(1S,5S,6R,7E,9S,11E,13S,16S,17R,18S)-5,6-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,20-dione

Statements

Identifiers

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