Summary

Molecular formula: C25H34O6
SMILES: CC(C1=C2[C@H]3CCC4=C(O)C(=O)[C@@]5([C@@]6([C@H]4[C@@H]([C@]3(C)CC[C@]2(CC1)C)O[C@@H]6OC5)O)O)C
InChI: InChI=1S/C25H34O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-20(23)31-21-25(17,29)24(28,11-30-21)19(27)18(14)26/h12,15,17,20-21,26,28-29H,5-11H2,1-4H3/t15-,17-,20+,21+,22-,23-,24+,25+/m1/s1
InChIKey: YQAQVNZGKXQJMK-ACIBSNEHSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCC3C4=CCCC4CCC3C3OC4OCC1C4C23

Scaffold Graph/Node level:
OC1CC2CCC3C4CCCC4CCC3C3OC4OCC1C4C23

Scaffold Graph level:
CC1CC2CCC3C4CCCC4CCC3C3CC4CCC1C4C23

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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 s

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External chemical identifiers:
CID_127047879; NPATLAS_NPA003209; CHEMSPIDER_58923185; ZINC_ZINC000653854680

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Chemical structure download