Summary

Molecular formula: C25H38O8
SMILES: O=C(C(C)C)CC[C@]1(C)CC[C@@]2([C@@H](C1=O)CC[C@H]1[C@@H]3[C@@H]2O[C@H]2C3(O)[C@@H](O[C@@H]1O)[C@@H](CO2)O)C
InChI: InChI=1S/C25H38O8/c1-12(2)15(26)7-8-23(3)9-10-24(4)14(18(23)28)6-5-13-17-20(24)33-22-25(17,30)19(32-21(13)29)16(27)11-31-22/h12-14,16-17,19-22,27,29-30H,5-11H2,1-4H3/t13-,14+,16+,17+,19-,20-,21-,22-,23+,24+,25?/m0/s1
InChIKey: QBLVPFLXJOLBJD-FPVNHCJFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2C1CCC1COC3CCOC4OC2C1C34

Scaffold Graph/Node level:
OC1CCCC2C1CCC1COC3CCOC4OC2C1C34

Scaffold Graph level:
CC1CCCC2C1CCC1CCC3CCCC4CC2C1C34

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Furopyrans

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Synonymous chemical names:
erinacine j

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External chemical identifiers:
CID_16085267; NPATLAS_NPA009679; CHEMSPIDER_17243935

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Chemical structure download