Secondary metabolite: 16 a -Hydroxy-3-oxolanosta-7,9(11),24-trien-21-oic acid



16 a -Hydroxy-3-oxolanosta-7,9(11),24-trien-21-oic acid
Summary
Molecular formula: C30H44O4
SMILES: CC(=CCC[C@H](C1[C@H](O)C[C@@]2([C@]1(C)CC=C1C2=CCC2[C@]1(C)CCC(=O)C2(C)C)C)C(=O)O)C
InChI: InChI=1S/C30H44O4/c1-18(2)9-8-10-19(26(33)34)25-22(31)17-30(7)21-11-12-23-27(3,4)24(32)14-15-28(23,5)20(21)13-16-29(25,30)6/h9,11,13,19,22-23,25,31H,8,10,12,14-17H2,1-7H3,(H,33,34)/t19-,22-,23?,25?,28-,29-,30+/m1/s1
InChIKey: LVYOXPQJURJWPC-ZOAZKMIDSA-N
Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4CCCC4C3=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids
Synonymous chemical names:
16 a -hydroxy-3-oxolanosta-7,9(11),24-trien-21-oic acid
Chemical structure download

Designed by R.P. Vivek-Ananth, M Karthikeyan and Ajaya Kumar Sahoo