Summary

Molecular formula: C35H52O9
SMILES: COC(=O)CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CC(=O)C1=C2C[C@@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC(=O)[C@@H]([C@@H](C(=O)O)C)C)C)C)C
InChI: InChI=1S/C35H52O9/c1-18(14-23(36)19(2)20(3)31(41)42)21-10-13-34(7)30-22(15-26(38)35(21,34)8)33(6)12-11-27(44-29(40)17-28(39)43-9)32(4,5)25(33)16-24(30)37/h18-21,25-27,38H,10-17H2,1-9H3,(H,41,42)/t18-,19-,20+,21-,25+,26-,27-,33-,34+,35+/m1/s1
InChIKey: VNTQFTKZIBNIBU-INIQLGEBSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC2C2=C1C1CCCC1CC2

Scaffold Graph/Node level:
OC1CC2CCCCC2C2CCC3CCCC3C12

Scaffold Graph level:
CC1CC2CCCCC2C2CCC3CCCC3C12

---

Chemical classification

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

---

Synonymous chemical names:
officimalonic acid d

---

External chemical identifiers:
CID_139587568; CHEMSPIDER_78443419

---

Chemical structure download