Summary

Molecular formula: C51H74O8
SMILES: C/C(=CCC/C(=C/Cc1cc(O)ccc1O)/C(=O)OC[C@]([C@H](CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C)O)(O)C)/CCC=C(C)C
InChI: InChI=1S/C51H74O8/c1-32(2)13-11-14-33(3)15-12-16-35(18-19-36-29-37(52)20-21-40(36)53)46(57)59-31-51(10,58)44(56)22-17-34(4)38-23-28-50(9)45-39(24-27-49(38,50)8)48(7)26-25-43(55)47(5,6)42(48)30-41(45)54/h13,15,18,20-21,29,34,38,42,44,52-53,56,58H,11-12,14,16-17,19,22-28,30-31H2,1-10H3/b33-15+,35-18-/t34-,38-,42+,44+,48-,49-,50+,51-/m1/s1
InChIKey: MWKCVDOKQBMXSE-BVTKDRHKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1CCC(CCCCCCOC(=O)C=CCc2ccccc2)C1CC3

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3CCC(CCCCCCOC(O)CCCC4CCCCC4)C3CCC21

Scaffold Graph level:
CC(CCCCCCCC1CCC2C1CCC1C3CCC(C)CC3CC(C)C21)CCCC1CCCCC1

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Chemical classification

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

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Synonymous chemical names:
ganoleuconin p

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External chemical identifiers:
CID_122182466; NPATLAS_NPA009112; CHEMSPIDER_59004370; ZINC_ZINC000473089918

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Chemical structure download