Summary

Molecular formula: C31H52O4
SMILES: CO[C@@H]1O[C@@H](CC[C@H]1C)[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CCC(C2(C)C)(O)O)C)C
InChI: InChI=1S/C31H52O4/c1-19-9-11-24(35-26(19)34-8)20(2)21-13-15-30(7)23-10-12-25-27(3,4)31(32,33)18-17-28(25,5)22(23)14-16-29(21,30)6/h19-21,24-26,32-33H,9-18H2,1-8H3/t19-,20+,21-,24+,25+,26-,28-,29-,30+/m1/s1
InChIKey: VTFWYTZKLXDGQO-GNHYXXJBSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(CC2CCC3C4=C(CCC23)C2CCCCC2CC4)OC1

Scaffold Graph/Node level:
C1CCC(CC2CCC3C2CCC2C4CCCCC4CCC23)OC1

Scaffold Graph level:
C1CCC(CC2CCC3C2CCC2C4CCCCC4CCC23)CC1

---

Chemical classification

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

---

Synonymous chemical names:
26-epi-astrasiaone

---

Chemical structure download