Summary

Molecular formula: C21H32O5
SMILES: O=C1O[C@@H]2C(=C1)[C@]1(O)CC[C@@H]([C@]1(CC2)C)[C@@H](/C=C/[C@](C(O)(C)C)(O)C)C
InChI: InChI=1S/C21H32O5/c1-13(6-10-20(5,24)18(2,3)23)14-7-11-21(25)15-12-17(22)26-16(15)8-9-19(14,21)4/h6,10,12-14,16,23-25H,7-9,11H2,1-5H3/b10-6+/t13-,14-,16+,19-,20-,21-/m1/s1
InChIKey: KJLCZLBABYCKPW-JLZKFPODSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(CCC3CCCC23)O1

Scaffold Graph/Node level:
OC1CC2C(CCC3CCCC32)O1

Scaffold Graph level:
CC1CC2CCC3CCCC3C2C1

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Chemical classification

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

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Synonymous chemical names:
phellinignincisterol b

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External chemical identifiers:
CID_46872464; NPATLAS_NPA004355; CHEMSPIDER_78436750; ZINC_ZINC000143539704

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Chemical structure download