Summary

Molecular formula: C30H44O5
SMILES: OC(=O)[C@@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C/C=C/C(O)(C)C
InChI: InChI=1S/C30H44O5/c1-26(2,35)14-8-9-18(25(33)34)24-21(31)17-30(7)20-10-11-22-27(3,4)23(32)13-15-28(22,5)19(20)12-16-29(24,30)6/h8,10,12,14,18,21-22,24,31,35H,9,11,13,15-17H2,1-7H3,(H,33,34)/b14-8+/t18-,21-,22+,24+,28-,29-,30+/m1/s1
InChIKey: ISGRMNPUIMBAKG-MHFFIKEUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=CCC4CCCC4C3=CCC2C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CCC23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CCC23)C1

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Chemical classification

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

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Synonymous chemical names:
piptolinic acid e

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External chemical identifiers:
CID_139590869; NPATLAS_NPA023612; CHEMSPIDER_78442166

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Chemical structure download