(Q27073723)

3beta-Hydroxy-20(29)-lupene (English)

3 October 2016

chemical formula

C₃₀H₅₀O

1 reference

3beta-Hydroxy-20(29)-lupene (English)

3 October 2016

canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C

1 reference

3beta-Hydroxy-20(29)-lupene (English)

3 October 2016

isomeric SMILES

CC(=C)C1CCC2([C@H]1C3CCC4C5(CCC(C([C@@H]5CCC4([C@@]3(CC2)C)C)(C)C)O)C)C

1 reference

3beta-Hydroxy-20(29)-lupene (English)

InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20?,21?,22-,23?,24?,25+,27?,28?,29+,30?/m0/s1

3 October 2016

Identifiers

InChI

1 reference

3beta-Hydroxy-20(29)-lupene (English)

MQYXUWHLBZFQQO-HQBMYVNCSA-N

3 October 2016

InChIKey

1 reference

3beta-Hydroxy-20(29)-lupene (English)

3 October 2016

1 reference

(8xi,9xi,10xi,13xi,17xi,19xi)-Lup-20(29)-en-3-ol (English)

3 October 2016

1 reference

Guide to Pharmacology Ligand ID

3beta-Hydroxy-20(29)-lupene (English)

3 October 2016

1 reference

9028

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

9028

3beta-Hydroxy-20(29)-lupene (English)