Summary

Molecular formula: C32H50O4
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H]([C@@H]1CC[C@H](C(=O)O1)C)C)C)C
InChI: InChI=1S/C32H50O4/c1-19-9-11-25(36-28(19)34)20(2)22-13-17-32(8)24-10-12-26-29(4,5)27(35-21(3)33)15-16-30(26,6)23(24)14-18-31(22,32)7/h19-20,22,25-27H,9-18H2,1-8H3/t19-,20+,22-,25+,26+,27-,30-,31-,32+/m1/s1
InChIKey: IPISRXBXIKQSBU-BQNFLXHXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC(CC2CCC3C4=C(CCC23)C2CCCCC2CC4)O1

Scaffold Graph/Node level:
OC1CCCC(CC2CCC3C2CCC2C4CCCCC4CCC23)O1

Scaffold Graph level:
CC1CCCC(CC2CCC3C2CCC2C4CCCCC4CCC23)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Steroid lactones

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Synonymous chemical names:
austraeusin q

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Chemical structure download