Summary

Molecular formula: C33H46O8
SMILES: CCCCOC(=O)CC[C@H]([C@H]1CC(=O)[C@@]2([C@]1(C)[C@H](OC(=O)C)C(=O)C1=C2C(=O)C[C@@H]2[C@]1(C)CCC(=O)C2(C)C)C)C
InChI: InChI=1S/C33H46O8/c1-9-10-15-40-25(38)12-11-18(2)20-16-24(37)33(8)26-21(35)17-22-30(4,5)23(36)13-14-31(22,6)27(26)28(39)29(32(20,33)7)41-19(3)34/h18,20,22,29H,9-17H2,1-8H3/t18-,20-,22+,29-,31+,32+,33+/m1/s1
InChIKey: DGDZKQQCSYXYAZ-FRSCHERESA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C3=C(C(=O)CC2C1)C1C(=O)CCC1CC3=O

Scaffold Graph/Node level:
OC1CCC2C(C1)CC(O)C1C3C(O)CCC3CC(O)C21

Scaffold Graph level:
CC1CCC2C(C1)CC(C)C1C3C(C)CCC3CC(C)C21

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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:
butyl lucidenate d 2, butyl lucidenate d2

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External chemical identifiers:
CID_71561505; NPATLAS_NPA013300; CHEMSPIDER_78439764; ZINC_ZINC000095589912

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Chemical structure download