Summary

Molecular formula: C27H38O7
SMILES: OCC1(C)C(O)CCC2(C1CC(=O)C1=C2C(=O)CC2(C1(C)C(=O)CC2C(CCC(=O)O)C)C)C
InChI: InChI=1S/C27H38O7/c1-14(6-7-21(33)34)15-10-20(32)27(5)23-16(29)11-18-24(2,9-8-19(31)25(18,3)13-28)22(23)17(30)12-26(15,27)4/h14-15,18-19,28,31H,6-13H2,1-5H3,(H,33,34)
InChIKey: VJIIJXSVQOCMDZ-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCC(=O)C2C2=C1C1CCCCC1CC2=O

Scaffold Graph/Node level:
OC1CCC2CC(O)C3C4CCCCC4CC(O)C3C12

Scaffold Graph level:
CC1CCC2CC(C)C3C4CCCCC4CC(C)C3C12

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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:
lucidenic acid i

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External chemical identifiers:
CID_14109378; CAS_110241-27-5

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Chemical structure download