PCIDB

KNApSAcK Metabolite C00029312

Metabolite

KNApSAcK Entry

id C00029312
Name 7alpha-Hydroxystigmasterol / Stigmasta-5,22-dien-3beta,7alpha.-diol / (22E,24S)-Stigmasta-5,22-dien-3beta,7alpha-diol
CAS RN 64998-19-2
Standard InChI InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1
Standard InChI (Main Layer) InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h8-9,17-20,22-27,30-31H,7,10-16H2,1-6H3

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 53

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL455107

KEGG

By LinkDB

CTD

By CAS RN