Summary

Molecular formula: C25H36O6
SMILES: O=CC1=CC=C2[C@@]([C@H](C1)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)(C)CC[C@@]1(C2=C(CC1)C(C)C)C
InChI: InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3/t18-,19+,21+,22-,23+,24-,25-/m1/s1
InChIKey: LPPCHLAEVDUIIW-NLLUTMDRSA-N

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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

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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 a

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External chemical identifiers:
CID_10410568; NPATLAS_NPA017420; CHEMSPIDER_8586005; ZINC_ZINC000038799914

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Chemical structure download