Summary

Molecular formula: C25H35NaO7
SMILES: O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)O[C@H]1CC(=CC=C2[C@@]1(C)CC[C@@]1(C2=C(CC1)C(C)C)C)C(=O)[O-].[Na+]
InChI: InChI=1S/C25H36O7.Na/c1-13(2)15-7-8-24(3)9-10-25(4)16(19(15)24)6-5-14(22(29)30)11-18(25)32-23-21(28)20(27)17(26)12-31-23;/h5-6,13,17-18,20-21,23,26-28H,7-12H2,1-4H3,(H,29,30);/q;+1/p-1/t17-,18+,20+,21-,23+,24-,25-;/m1./s1
InChIKey: PIDSIENWTJMQMY-JRPDWERQSA-M

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC(OC2CCCCO2)C2CCC3CCC=C3C2=C1

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 h

---

External chemical identifiers:
CID_102012688

---

Chemical structure download