Summary

Molecular formula: C27H42O8
SMILES: CC(=O)OCC1=C[C@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@]2([C@H](CC1O)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)11-19(29)16(12-33-15(3)28)10-21(27)35-25-24(32)23(31)20(30)13-34-25/h10,14,18-21,23-25,29-32H,6-9,11-13H2,1-5H3/t18-,19?,20-,21+,23+,24-,25+,26-,27-/m1/s1
InChIKey: CKGZNZCRUPISHK-AMRAMDROSA-N

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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

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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 k

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External chemical identifiers:
CID_16085268; NPATLAS_NPA015536; CHEMSPIDER_17243936

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Chemical structure download