Summary

Molecular formula: C22H28O5
SMILES: O=CC1=CC=C2[C@@]([C@H](C1)OC(=O)C)(C)CC[C@@]1(C2=C(CC1)C(C)C)C(=O)O
InChI: InChI=1S/C22H28O5/c1-13(2)16-7-8-22(20(25)26)10-9-21(4)17(19(16)22)6-5-15(12-23)11-18(21)27-14(3)24/h5-6,12-13,18H,7-11H2,1-4H3,(H,25,26)/t18-,21+,22-/m0/s1
InChIKey: HOSRLRWNDVYKNJ-BWAGFHJFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2CCC3CCC=C3C2=C1

Scaffold Graph/Node level:
C1CCC2CCC3CCCC3C2CC1

Scaffold Graph level:
C1CCC2CCC3CCCC3C2CC1

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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:
scabronine e

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External chemical identifiers:
CID_10451923; NPATLAS_NPA001203; CHEMSPIDER_8627339; ZINC_ZINC000014497177

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Chemical structure download