Summary

Molecular formula: C21H32O5
SMILES: OC[C@H](C(O)(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C2=CC(=O)O1)O)C
InChI: InChI=1S/C21H32O5/c1-13(5-6-14(12-22)19(2,3)24)15-7-8-16-17-11-18(23)26-21(17,25)10-9-20(15,16)4/h5-6,11,13-16,22,24-25H,7-10,12H2,1-4H3/b6-5+/t13-,14-,15-,16+,20-,21+/m1/s1
InChIKey: KNOYIRAECGPNAK-ROWGDZKMSA-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 c

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External chemical identifiers:
CID_46872465; NPATLAS_NPA013313; CHEMSPIDER_78437850; ZINC_ZINC000143539939

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Chemical structure download