endo-2-hydroxyecamsule (Q27274880)

[(2S,3E)-3-(4-{(E)-[7,7-Dimethyl-3-oxo-4-(sulfomethyl)bicyclo[2.2.1]hept-2-ylidene]methyl}benzylidene)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methanesulfonic acid (English)

retrieved

14 October 2016

chemical formula

C₂₈H₃₆O₈S₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C2CCC1(C(C2=CC3=CC=C(C=C3)C=C4C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)O)CS(=O)(=O)O)C

1 reference

stated in

Global Substance Registration System

UNII

BU7YKV6E9I

language of work or name

English

title

endo-2-hydroxyecamsule (English)

retrieved

14 October 2016

isomeric SMILES

CC1(C\2CCC1([C@H](/C2=C/C3=CC=C(C=C3)/C=C/4\C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)O)CS(=O)(=O)O)C

1 reference

stated in

Global Substance Registration System

UNII

BU7YKV6E9I

language of work or name

English

title

endo-2-hydroxyecamsule (English)

retrieved

14 October 2016

Identifiers

InChI

InChI=1S/C28H36O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-23,29H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)/b19-13+,20-14+/t21?,22?,23-,27?,28?/m0/s1

1 reference

stated in

Global Substance Registration System

UNII

BU7YKV6E9I

language of work or name

English

title

endo-2-hydroxyecamsule (English)

retrieved

14 October 2016

InChIKey

AUIGUMTVSBTOKZ-CHCCLCEUSA-N

1 reference

stated in

Global Substance Registration System

UNII

BU7YKV6E9I

language of work or name

English

title

endo-2-hydroxyecamsule (English)

14 October 2016

1 reference

language of work or name

English

title

[(2S,3E)-3-(4-{(E)-[7,7-Dimethyl-3-oxo-4-(sulfomethyl)bicyclo[2.2.1]hept-2-ylidene]methyl}benzylidene)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methanesulfonic acid (English)

14 October 2016

1 reference

26 December 2021