(Q27137154)

CHEBI:68735 (English)

7 October 2016

chemical formula

C₃₂H₃₆N₂O₄

1 reference

CHEBI:68735 (English)

7 October 2016

canonical SMILES

CC1CC=CC2C=C(C(C3C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC3CC4=CNC5=CC=CC=C54)C)C

1 reference

CHEBI:68735 (English)

7 October 2016

isomeric SMILES

C[C@H]\1C/C=C/[C@H]2C=C([C@H]([C@@H]3[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]3CC4=CNC5=CC=CC=C54)C)C

1 reference

Chaetoglobosins, cytotoxic 10-(indol-3-yl)-[13]cytochalasans from Chaetomium spp. I. Production, isolation and some cytological effects of chaetoglobosins A-J

CHEBI:68735 (English)

7 October 2016

1 reference

Chaetomium globosum

2 references

stated in

Chaetoglobosins, cytotoxic 10-(indol-3-yl)-(13)cytochalasans from Chaetomium spp. IV. 13C-Nuclear magnetic resonance spectra and their application to a biosynthetic study.

stated in

Chaetoglobosins Q, R, and T, three further new metabolites from Chaetomium globosum.

Identifiers

InChI

InChI=1S/C32H36N2O4/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/h5-7,9-15,17-18,21,23,26,29-30,33,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1

1 reference

CHEBI:68735 (English)

7 October 2016

2 references

CHEBI:68735 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

chaetoglobosin J (English)

7 October 2016

1 reference

Chaetoglobosin J (English)

7 October 2016

2 references

CHEBI:68735 (English)

7 October 2016

Reaxys registry number

735570

1 reference

chaetoglobosin J (English)

7 October 2016

ChEBI ID

68735

mapping relation type

2 references

chaetoglobosin J (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C32H36N2O4/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/h5-7,9-15,17-18,21,23,26,29-30,33,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12+,20-14+/t18-,21+,23-,26-,29-,30+,32+/m0/s1

1 reference

CHEATOGLOBOSIN J (English)

7 October 2016

2 references

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20171626

1 reference

Natural Product Atlas ID

NPA010449

2 references

based on heuristic

inferred from InChIKey