Summary

Molecular formula: C31H50O5
SMILES: OC(=O)C([C@H](C1(O)C[C@@H](C)[C@@H]2[C@]3([C@H](O1)CC1=C([C@@]3(CC2)C)CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)C)C
InChI: InChI=1S/C31H50O5/c1-17-16-31(35,19(3)18(2)26(33)34)36-25-15-22-21(29(7)14-11-20(17)30(25,29)8)9-10-23-27(4,5)24(32)12-13-28(22,23)6/h17-20,23-25,32,35H,9-16H2,1-8H3,(H,33,34)/t17-,18?,19-,20-,23+,24-,25-,28-,29+,30+,31?/m1/s1
InChIKey: PEJVRURWUPBFOY-KLBYFCBYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCC2CCCOC(C3)C21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CC2OCCCC3CCC1C32

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CC2CCCCC3CCC1C32

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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:
3α-oxepanoquercinic acid c

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External chemical identifiers:
NPATLAS_NPA002892

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Chemical structure download