Summary

Molecular formula: C33H44O8
SMILES: COC(=O)CC[C@@]1(C)C(C[C@@H]2[C@]3(C1=CC(=O)[C@]1([C@@]3(C)[C@H](OC(=O)C)C[C@@H]1/C(=C[C@@H]1C[C@H](C(=O)O1)C)/C)C)O2)C(=C)C
InChI: InChI=1S/C33H44O8/c1-17(2)22-14-27-33(41-27)24(30(22,6)11-10-28(36)38-9)16-25(35)31(7)23(15-26(32(31,33)8)39-20(5)34)18(3)12-21-13-19(4)29(37)40-21/h12,16,19,21-23,26-27H,1,10-11,13-15H2,2-9H3/b18-12-/t19-,21-,22?,23-,26-,27-,30+,31+,32-,33+/m1/s1
InChIKey: RZBUQPAKXNFVKS-MEYWHSBLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC(C=CC2CCC3C2C(=O)C=C2CCCC4OC243)O1

Scaffold Graph/Node level:
OC1CCC(CCC2CCC3C2C(O)CC2CCCC4OC243)O1

Scaffold Graph level:
CC1CCC(CCC2CCC3C2C(C)CC2CCCC4CC243)C1

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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:
methyl australate

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Chemical structure download