Summary

Molecular formula: C28H42O5
SMILES: O[C@@H]1CC[C@@](C(=O)C1)(C)OC(=O)/C=C1/C(=O)CC[C@]2([C@H]1CC[C@@H]2C(/C=C/C(C(C)C)C)C)C
InChI: InChI=1S/C28H42O5/c1-17(2)18(3)7-8-19(4)22-9-10-23-21(24(30)12-13-27(22,23)5)16-26(32)33-28(6)14-11-20(29)15-25(28)31/h7-8,16-20,22-23,29H,9-15H2,1-6H3/b8-7+,21-16+/t18?,19?,20-,22-,23+,27-,28-/m1/s1
InChIKey: HTXUAQKMNHGMFH-TYZDPFSWSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=C1C(=O)CCC2CCCC12)OC1CCCCC1=O

Scaffold Graph/Node level:
OC(CC1C(O)CCC2CCCC21)OC1CCCCC1O

Scaffold Graph level:
CC(CC1CCCCC1C)CC1C(C)CCC2CCCC21

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Chemical classification

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

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Synonymous chemical names:
chaxine b

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External chemical identifiers:
CID_102299656; NPATLAS_NPA015218; CHEMSPIDER_28287026

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Chemical structure download