Summary

Molecular formula: C48H73NO12
SMILES: COC(=O)[C@H]([C@H](c1ccccc1)OC(=O)C)NC(=O)C[C@](CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C([C@H]1O)(C)C)[C@]1([C@@]([C@H](C3)O)(C)[C@H](CC1)[C@@H](CC[C@H](C(O)(C)C)O)C)C)(O)C
InChI: InChI=1S/C48H73NO12/c1-27(17-20-35(51)44(5,6)57)30-21-22-47(9)31-18-19-34-43(3,4)41(55)33(24-46(34,8)32(31)23-36(52)48(30,47)10)61-38(54)26-45(7,58)25-37(53)49-39(42(56)59-11)40(60-28(2)50)29-15-13-12-14-16-29/h12-16,27,30,33-36,39-41,51-52,55,57-58H,17-26H2,1-11H3,(H,49,53)/t27-,30-,33-,34+,35-,36+,39+,40+,41+,45-,46-,47+,48+/m1/s1
InChIKey: AAJAPPYEUBJOGG-DERQANKZSA-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 e

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External chemical identifiers:
CID_139591000; NPATLAS_NPA023748; CHEMSPIDER_78442409

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Chemical structure download