Summary

Molecular formula: C30H33NO6
SMILES: O=C1CC[C@]2(CO1)[C@H]1CC=C([C@@]3([C@]1(C)CC[C@@]2(O)C(=C)C)Oc1c(C3)c(=O)oc(c1)c1cccnc1)C
InChI: InChI=1S/C30H33NO6/c1-18(2)29(34)12-11-27(4)24(28(29)10-9-25(32)35-17-28)8-7-19(3)30(27)15-21-23(37-30)14-22(36-26(21)33)20-6-5-13-31-16-20/h5-7,13-14,16,24,34H,1,8-12,15,17H2,2-4H3/t24-,27+,28-,29+,30-/m0/s1
InChIKey: FIWRZQROYVDBSG-GBLYIOFISA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCCC3C2CC=CC32Cc3c(cc(-c4cccnc4)oc3=O)O2)CO1

Scaffold Graph/Node level:
OC1CCC2(CCCC3C2CCCC32CC3C(O)OC(C4CCCNC4)CC3O2)CO1

Scaffold Graph level:
CC1CCC2(CCCC3C2CCCC32CC3CC(C4CCCCC4)CC(C)C3C2)CC1

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Chemical classification

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

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Synonymous chemical names:
15-deoxyoxalicine b

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External chemical identifiers:
CID_11060212; NPATLAS_NPA019476; CHEMSPIDER_40257830

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Chemical structure download