C00003749 - Ligularia sagitta
C_ID C00003749
CAS RN 545-47-1
Metabolite Lupenol;(+)-Lupenol;Lupeol
Molecular Formula C30H50O
Organism Ligularia sagitta
Kingdom Plantae
Family Asteraceae
Genus Ligularia
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@@H]1[C@](CC2)(C)CC[C@H]1C(=C)C)C)C)C)(C)C)O
InChI 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
InChIKey MQYXUWHLBZFQQO-ZAEXXZHRNA-N
Reference Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).;Wang, et al., Chinese Pharmaceutical Journal(Zhongguo Yaoxue Zazhi), 29, (1994), 268.;Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).;Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).;Wu, et al., Phytochemistry, 52, (1999), 901.;Chumkaew, et al., Chem Pharm Bull, 53, (2005), 95.;Tanaka, et al., Chem Pharm Bull, 52, (2004), 1242.;Mutai, et al., Phytochemistry, 65, (2004), 1159.;Tanaka, et al., Planta Med, 70, (2004), 1234.;TORIUMI, et al., Chem Pharm Bull, 51, (2003), 89.;Calixto, et al., Planta Med, 69, (2003), 973.;NAKANISHI, et al., Chem Pharm Bull, 53, (2005), 229.;KIEM, et al., Chem Pharm Bull, 53, (2005), 428.;Gutierrez-Lugo, et al., Planta Med, 70, (2004), 263.;Madureira, et al., Planta Med, 70, (2004), 828.;Puapairoj, et al., Planta Med, 71, (2005), 208.;Li, et al., Planta Med, 69, (2003), 356.;Chaaib, et al., Planta Med, 69, (2003), 316
Structural formula image