(Q27139724)

Glycyrrhetol (English)

7 October 2016

chemical formula

C₃₀H₄₈O₃

1 reference

Glycyrrhetol (English)

7 October 2016

canonical SMILES

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C

1 reference

Glycyrrhetol (English)

7 October 2016

isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)CO

1 reference

Glycyrrhetol and beta-Peltoboykinolic Acid from Adenocalymma alliaceum

Glycyrrhetol (English)

7 October 2016

1 reference

liquorice

1 reference

stated in

Metabolic profiling of roots of liquorice (Glycyrrhiza glabra) from different geographical areas by ESI/MS/MS and determination of major metabolites by LC-ESI/MS and LC-ESI/MS/MS

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1

1 reference

Glycyrrhetol (English)

7 October 2016

2 references

Glycyrrhetol (English)

CAS (formerly Chemical Abstracts Service)

7 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

14226-18-7

1 reference

stated in

25 January 2022

1 reference

30-hydroxy-11-oxo-beta-amyrin (English)

7 October 2016

2 references

Glycyrrhetol (English)

7 October 2016

Reaxys registry number

3123280

1 reference

30-hydroxy-11-oxo-beta-amyrin (English)

7 October 2016

ChEBI ID

71576

mapping relation type

2 references

30-hydroxy-11-oxo-beta-amyrin (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1

1 reference

1 reference

KNApSAcK ID

C00059896

2 references

based on heuristic

inferred from InChIKey