Summary

Molecular formula: C28H42O6
SMILES: COC(=O)CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC(=O)C1=C2[C@@H](O)CC([C@]1(C)CCC(=O)O)C(=C)C)C)C
InChI: InChI=1S/C28H42O6/c1-16(2)19-14-20(29)25-24(26(19,4)12-11-22(31)32)21(30)15-28(6)18(10-13-27(25,28)5)17(3)8-9-23(33)34-7/h17-20,29H,1,8-15H2,2-7H3,(H,31,32)/t17-,18-,19?,20+,26+,27+,28-/m1/s1
InChIKey: XXRAHMQIWCNBKA-XZFWSZNQSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC2C2=C1CCCC2

Scaffold Graph/Node level:
OC1CC2CCCC2C2CCCCC12

Scaffold Graph level:
CC1CC2CCCC2C2CCCCC12

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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:
fornicatin e

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External chemical identifiers:
CID_86302608; NPATLAS_NPA011625; CHEMSPIDER_78441179

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Chemical structure download