Summary

Molecular formula: C38H63NO10
SMILES: O=C(CC(CC(=O)O[C@@H]1C[C@]2(C)C3=C(CCC2C([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)NCC(=O)O
InChI: InChI=1S/C38H63NO10/c1-21(10-13-27(40)34(4,5)47)22-14-15-37(8)23-11-12-26-33(2,3)32(46)25(17-36(26,7)24(23)16-28(41)38(22,37)9)49-31(45)19-35(6,48)18-29(42)39-20-30(43)44/h21-22,25-28,32,40-41,46-48H,10-20H2,1-9H3,(H,39,42)(H,43,44)/t21-,22-,25-,26?,27-,28+,32+,35?,36-,37+,38+/m1/s1
InChIKey: LILVUFKXDGZLEC-VUSFHJTISA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCCC1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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:
fasciculic acid e

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External chemical identifiers:
CID_139585822; NPATLAS_NPA009852; CHEMSPIDER_78442629

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Chemical structure download