Summary

Molecular formula: C37H58O9
SMILES: O=C(C[C@](CC(=O)O)(O)C)O[C@H]1CC[C@]2([C@H](C1(C)C)[C@H](O)CC1=C2C[C@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CCC(=C)[C@@H](C(=O)O)C)C)C)C
InChI: InChI=1S/C37H58O9/c1-20(22(3)32(43)44)10-11-21(2)23-12-15-36(8)25-16-26(38)31-33(4,5)28(46-30(42)19-34(6,45)18-29(40)41)13-14-35(31,7)24(25)17-27(39)37(23,36)9/h21-23,26-28,31,38-39,45H,1,10-19H2,2-9H3,(H,40,41)(H,43,44)/t21-,22+,23-,26-,27+,28+,31+,34+,35-,36+,37+/m1/s1
InChIKey: VVGQXMOSIRGYCB-TZNBBGRUSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

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:
palustrisoic acid a

---

External chemical identifiers:
CID_139590975; NPATLAS_NPA023722; CHEMSPIDER_78442193

---

Chemical structure download