(Q27264528)

Cabenegrina B (English)

14 October 2016

chemical formula

C₂₁H₂₂O₆

1 reference

Cabenegrina B (English)

14 October 2016

canonical SMILES

CC(CCC1=C(C=C2C(=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5)O)CO

1 reference

Cabenegrina B (English)

14 October 2016

isomeric SMILES

CC(CCC1=C(C=C2C(=C1)[C@H]3[C@@H](CO2)C4=CC5=C(C=C4O3)OCO5)O)CO

1 reference

Cabenegrina B (English)

InChI=1S/C21H22O6/c1-11(8-22)2-3-12-4-14-17(6-16(12)23)24-9-15-13-5-19-20(26-10-25-19)7-18(13)27-21(14)15/h4-7,11,15,21-23H,2-3,8-10H2,1H3/t11?,15-,21-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Cabenegrina B (English)

QZBPWZWWRPDXGM-ZCUNXJIWSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Cabenegrina B (English)

14 October 2016

1 reference

UNII

6D0K52WN5Y

cabenegrin a-ii (English)

14 October 2016

1 reference

cabenegrin A-II (English)

14 October 2016

1 reference

Global Substance Registration System

Cabenegrina B (English)

14 October 2016

1 reference

1 reference

UNII

6D0K52WN5Y

cabenegrin a-ii (English)