Summary

Molecular formula: C46H71NO11
SMILES: COC(=O)[C@H]([C@H](c1ccccc1)O)NC(=O)C[C@](CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CCC1=C2C[C@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CC[C@H](C(O)(C)C)O)C)C)(O)C
InChI: InChI=1S/C46H71NO11/c1-26(16-19-33(48)42(4,5)55)28-20-21-45(8)29-17-18-32-41(2,3)39(53)31(23-44(32,7)30(29)22-34(49)46(28,45)9)58-36(51)25-43(6,56)24-35(50)47-37(40(54)57-10)38(52)27-14-12-11-13-15-27/h11-15,26,28,31-34,37-39,48-49,52-53,55-56H,16-25H2,1-10H3,(H,47,50)/t26-,28-,31-,32+,33-,34+,37+,38+,39+,43-,44-,45+,46+/m1/s1
InChIKey: BKWGPNSHTAIBII-FINKOGSESA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCC(=O)OC1CCC2CCC3=C(CCC4CCCC34)C2C1)NCCc1ccccc1

Scaffold Graph/Node level:
OC(CCCC(O)OC1CCC2CCC3C4CCCC4CCC3C2C1)NCCC1CCCCC1

Scaffold Graph level:
CC(CCCC(C)CC1CCC2CCC3C4CCCC4CCC3C2C1)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 c

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External chemical identifiers:
CID_139590998; NPATLAS_NPA023746; CHEMSPIDER_78442407

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Chemical structure download