Summary

Molecular formula: C27H32O6
SMILES: CC(C1=C2[C@H]3C[C@H]4O[C@]([C@]3(C)CC[C@]2(CC1)C(=O)O)(O)C=C4COC(=O)c1ccccc1)C
InChI: InChI=1S/C27H32O6/c1-16(2)19-9-10-26(24(29)30)12-11-25(3)20(22(19)26)13-21-18(14-27(25,31)33-21)15-32-23(28)17-7-5-4-6-8-17/h4-8,14,16,20-21,31H,9-13,15H2,1-3H3,(H,29,30)/t20-,21-,25-,26+,27-/m1/s1
InChIKey: ZZWZVJDLPNJXCT-ZGRQWDIUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OCC1=CC2OC1CC1C3=CCCC3CCC21)c1ccccc1

Scaffold Graph/Node level:
OC(OCC1CC2OC1CC1C3CCCC3CCC21)C1CCCCC1

Scaffold Graph level:
CC(CCC1CC2CC1CC1C3CCCC3CCC21)C1CCCCC1

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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 d

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External chemical identifiers:
CID_15386791; NPATLAS_NPA001833; CHEMSPIDER_78436459; ZINC_ZINC000085646368

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Chemical structure download