Summary
Molecular formula: C34H38O7
SMILES: O=C(c1ccccc1)OCC1=C[C@H](O)[C@]2([C@H](C[C@H]1OC(=O)c1ccccc1)C1=C(CC[C@@]1(CC2)C(=O)O)C(C)C)CInChI: InChI=1S/C34H38O7/c1-21(2)25-14-15-34(32(38)39)17-16-33(3)26(29(25)34)19-27(41-31(37)23-12-8-5-9-13-23)24(18-28(33)35)20-40-30(36)22-10-6-4-7-11-22/h4-13,18,21,26-28,35H,14-17,19-20H2,1-3H3,(H,38,39)/t26-,27-,28+,33-,34+/m1/s1InChIKey: RIFCQBXYULQNTC-MVKHKYTLSA-N
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C(OCC1=CCC2CCC3CCC=C3C2CC1OC(=O)c1ccccc1)c1ccccc1
Scaffold Graph/Node level:OC(OCC1CCC2CCC3CCCC3C2CC1OC(O)C1CCCCC1)C1CCCCC1
Scaffold Graph level:CC(CCC1CCC2CCC3CCCC3C2CC1CC(C)C1CCCCC1)C1CCCCC1
Chemical classification
Kingdom: Organic compounds
Super class: Lipids and lipid-like moleculesClass: Prenol lipids
Sub class: Diterpenoids
Synonymous chemical names:scabronine b
External chemical identifiers:CID_9872478; NPATLAS_NPA002643; CHEMSPIDER_8048167; ZINC_ZINC000072108698
Chemical structure download