Summary

Molecular formula: C27H42O8
SMILES: OCC1=C[C@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@]2([C@H](C[C@H]1OC(=O)C)C1=C(CC[C@@]1(CC2)C)C(C)C)C
InChI: InChI=1S/C27H42O8/c1-14(2)17-6-7-26(4)8-9-27(5)18(22(17)26)11-20(34-15(3)29)16(12-28)10-21(27)35-25-24(32)23(31)19(30)13-33-25/h10,14,18-21,23-25,28,30-32H,6-9,11-13H2,1-5H3/t18-,19-,20-,21+,23+,24-,25+,26-,27-/m1/s1
InChIKey: BNEKFVWNEHVFNT-JGSLRZJPSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC(OC2CCCCO2)C2CCC3CCC=C3C2CC1

Scaffold Graph/Node level:
C1CCC(OC2CCCCC3C4CCCC4CCC23)OC1

Scaffold Graph level:
C1CCC(CC2CCCCC3C4CCCC4CCC23)CC1

---

Chemical classification

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

---

Synonymous chemical names:
erinacine q

---

External chemical identifiers:
CID_10206893; NPATLAS_NPA012991; CHEMSPIDER_8382390

---

Chemical structure download