Summary

Molecular formula: C39H60O8
SMILES: COC(=O)C[C@@](CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CC=C1C2=C[C@H](OC)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CCC(=C)[C@@H](C(=O)O)C)C)C)C)(O)C
InChI: InChI=1S/C39H60O8/c1-23(25(3)34(42)43)12-13-24(2)26-16-19-38(8)27-14-15-29-35(4,5)30(47-33(41)22-36(6,44)21-32(40)46-11)17-18-37(29,7)28(27)20-31(45-10)39(26,38)9/h14,20,24-26,29-31,44H,1,12-13,15-19,21-22H2,2-11H3,(H,42,43)/t24-,25+,26-,29+,30-,31+,36+,37-,38+,39+/m1/s1
InChIKey: HDEYPWNVBOCOQU-JJTVPUFZSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(=CCC3CCCCC23)C2CCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

---

Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

---

Synonymous chemical names:
piptolinic acid a

---

External chemical identifiers:
CID_139590866; NPATLAS_NPA023609; CHEMSPIDER_78442163

---

Chemical structure download