Summary

Molecular formula: C48H71NO13
SMILES: COC(=O)[C@H]([C@H](c1ccccc1)OC(=O)C)NC(=O)C[C@](CC(=O)O[C@H]1[C@H](O)C[C@]2([C@H](C1(C)C)CCC1=C2C[C@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@H]1CC[C@@H](O[C@H]1O)C(O)(C)C)C)C)(O)C
InChI: InChI=1S/C48H71NO13/c1-26(50)60-39(27-14-12-11-13-15-27)38(42(56)59-10)49-36(53)24-45(6,58)25-37(54)62-40-32(51)23-46(7)31-22-34(52)48(9)29(28-16-19-35(44(4,5)57)61-41(28)55)20-21-47(48,8)30(31)17-18-33(46)43(40,2)3/h11-15,28-29,32-35,38-41,51-52,55,57-58H,16-25H2,1-10H3,(H,49,53)/t28-,29-,32-,33+,34+,35-,38+,39+,40+,41-,45-,46-,47+,48+/m1/s1
InChIKey: BWIBDGJEUAZWEY-NUGBORNOSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCC(=O)OC1CCC2C3=C(CCC2C1)C1CCC(C2CCCOC2)C1CC3)NCCc1ccccc1

Scaffold Graph/Node level:
OC(CCCC(O)OC1CCC2C(CCC3C2CCC2C(C4CCCOC4)CCC23)C1)NCCC1CCCCC1

Scaffold Graph level:
CC(CCCC(C)CC1CCC2C(CCC3C2CCC2C(C4CCCCC4)CCC23)C1)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:
pardinol h

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External chemical identifiers:
CID_139591003; NPATLAS_NPA023751; CHEMSPIDER_78442412

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Chemical structure download