Summary

Molecular formula: C46H69NO12
SMILES: COC(=O)[C@H]([C@H](c1ccccc1)O)NC(=O)C[C@](CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C([C@H]1O)(C)C)[C@]1([C@@]([C@H](C3)O)(C)[C@H](CC1)[C@H]1CC[C@@H](O[C@H]1O)C(O)(C)C)C)(O)C
InChI: InChI=1S/C46H69NO12/c1-41(2)31-17-16-28-29(21-32(48)46(8)27(19-20-45(28,46)7)26-15-18-33(42(3,4)55)59-39(26)53)44(31,6)22-30(38(41)52)58-35(50)24-43(5,56)23-34(49)47-36(40(54)57-9)37(51)25-13-11-10-12-14-25/h10-14,26-27,30-33,36-39,48,51-53,55-56H,15-24H2,1-9H3,(H,47,49)/t26-,27-,30-,31+,32+,33-,36+,37+,38+,39-,43-,44-,45+,46+/m1/s1
InChIKey: ZRYFALPBUPDYAR-WKNKVYJASA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCC(=O)OC1CCC2CCC3=C(CCC4C3CCC4C3CCCOC3)C2C1)NCCc1ccccc1

Scaffold Graph/Node level:
OC(CCCC(O)OC1CCC2CCC3C(CCC4C(C5CCCOC5)CCC43)C2C1)NCCC1CCCCC1

Scaffold Graph level:
CC(CCCC(C)CC1CCC2CCC3C(CCC4C(C5CCCCC5)CCC43)C2C1)CCCC1CCCCC1

---

Chemical classification

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

---

Synonymous chemical names:
pardinol g, saponaceol b

---

External chemical identifiers:
CID_139591002, CID_21579638; NPATLAS_NPA023750; CHEMSPIDER_78442411

---

Chemical structure download