Summary

Molecular formula: C22H34O6
SMILES: CO[C@@H]1C[C@@H]2C3=C(CC[C@@]3(CC[C@]2([C@@H]2[C@H]([C@H]1C(O)O2)OC)C)C(=O)O)C(C)C
InChI: InChI=1S/C22H34O6/c1-11(2)12-6-7-22(20(24)25)9-8-21(3)13(16(12)22)10-14(26-4)15-17(27-5)18(21)28-19(15)23/h11,13-15,17-19,23H,6-10H2,1-5H3,(H,24,25)/t13-,14-,15+,17+,18+,19?,21-,22+/m1/s1
InChIKey: SJRSXOFCFKORFT-AQBQCHLVSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CC1)CCC1C3CC(CCC21)CO3

Scaffold Graph/Node level:
C1CC2CCC3C4CC(CCC3C2C1)CO4

Scaffold Graph level:
C1CC2CCC3C4CCC(CCC3C2C1)C4

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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 a

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External chemical identifiers:
CID_9952533; NPATLAS_NPA001256; CHEMSPIDER_28284974

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Chemical structure download