jamaicamide A (Q27155476)

Jamaicamide A (English)

9 October 2016

chemical formula

C₂₇H₃₆BrClN₂O₄

1 reference

Jamaicamide A (English)

9 October 2016

canonical SMILES

CC1C=CC(=O)N1C(=O)C=C(CCNC(=O)CCC=CC(C)CCC(=CCl)CCCC#CBr)OC

1 reference

Jamaicamide A (English)

9 October 2016

isomeric SMILES

C[C@H]1C=CC(=O)N1C(=O)/C=C(\CCNC(=O)CC/C=C/C(C)CC/C(=C/Cl)/CCCC#CBr)/OC

1 reference

Jamaicamide A (English)

InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)/b9-6+,23-20+,24-19+/t21?,22-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

Jamaicamide A (English)

9 October 2016

2 references

Jamaicamide A (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

jamaicamide A (English)

9 October 2016

2 references

Jamaicamide A (English)

9 October 2016

ChEBI ID

81589

mapping relation type

2 references

Jamaicamide A (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H36BrClN2O4/c1-21(12-14-23(20-29)10-5-4-8-17-28)9-6-7-11-25(32)30-18-16-24(35-3)19-27(34)31-22(2)13-15-26(31)33/h6,9,13,15,19-22H,4-5,7,10-12,14,16,18H2,1-3H3,(H,30,32)/b9-6+,23-20+,24-19+/t21?,22-/m0/s1

1 reference

NMRShiftDB structure ID

60005925

1 reference

DSSTox substance ID

DTXSID301046696

1 reference

1 reference

Jamaicamide A (English)