Summary

Molecular formula: C46H71NO10
SMILES: COC(=O)[C@H](Cc1ccccc1)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](CC[C@H](C(O)(C)C)O)C)C)C)(O)C
InChI: InChI=1S/C46H71NO10/c1-27(16-19-35(49)42(4,5)54)29-20-21-45(8)30-17-18-34-41(2,3)39(33(48)24-44(34,7)31(30)23-36(50)46(29,45)9)57-38(52)26-43(6,55)25-37(51)47-32(40(53)56-10)22-28-14-12-11-13-15-28/h11-15,27,29,32-36,39,48-50,54-55H,16-26H2,1-10H3,(H,47,51)/t27-,29-,32+,33-,34+,35-,36+,39+,43-,44-,45+,46+/m1/s1
InChIKey: SQNYMOOHDNIIRY-LNKFQWMJSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCCC(=O)OC1CCC2C3=C(CCC2C1)C1CCCC1CC3)NCCc1ccccc1

Scaffold Graph/Node level:
OC(CCCC(O)OC1CCC2C(CCC3C4CCCC4CCC23)C1)NCCC1CCCCC1

Scaffold Graph level:
CC(CCCC(C)CC1CCC2C(CCC3C4CCCC4CCC23)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 b

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External chemical identifiers:
CID_139590997; NPATLAS_NPA023745; CHEMSPIDER_78442406

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Chemical structure download