Summary

Molecular formula: C22H32O4
SMILES: CC(=O)OCC1=C[C@]2(O[C@@H]1C[C@H]1[C@@]2(C)CC[C@@]2(C1=C(CC2)C(C)C)C)O
InChI: InChI=1S/C22H32O4/c1-13(2)16-6-7-20(4)8-9-21(5)17(19(16)20)10-18-15(12-25-14(3)23)11-22(21,24)26-18/h11,13,17-18,24H,6-10,12H2,1-5H3/t17-,18-,20-,21-,22-/m1/s1
InChIKey: WOKVOSAADLEXDD-ISMARYCFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2OC1CC1C3=CCCC3CCC21

Scaffold Graph/Node level:
C1CC2CCC3C4CCC(CC3C2C1)O4

Scaffold Graph level:
C1CC2CCC3C4CCC(C4)CC3C2C1

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Chemical classification

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

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Synonymous chemical names:
erinacine i

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External chemical identifiers:
CID_102012690

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Chemical structure download