Summary

Molecular formula: C27H42O7
SMILES: CCOC1CC2C3=C(CCC3(C)CCC2(C(C=C1C=O)OC1OCC(C(C1O)O)O)C)C(C)C
InChI: InChI=1S/C27H42O7/c1-6-32-20-12-18-22-17(15(2)3)7-8-26(22,4)9-10-27(18,5)21(11-16(20)13-28)34-25-24(31)23(30)19(29)14-33-25/h11,13,15,18-21,23-25,29-31H,6-10,12,14H2,1-5H3
InChIKey: ZQHNREXELVXBCG-UHFFFAOYSA-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 d

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External chemical identifiers:
CID_9912965; CAS_157397-40-5

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Chemical structure download