Summary

Molecular formula: C30H40O8
SMILES: C[C@H]1C[C@@]2(OC1=O)O[C@H]1C(=O)C3=C([C@]4([C@]1(C(=C[C@H]4O)[C@@](C2)(C)O)C)C)C(=O)C[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O
InChI: InChI=1S/C30H40O8/c1-14-12-30(38-24(14)35)13-27(5,36)17-11-19(33)29(7)20-15(31)10-16-25(2,3)18(32)8-9-26(16,4)21(20)22(34)23(37-30)28(17,29)6/h11,14,16,18-19,23,32-33,36H,8-10,12-13H2,1-7H3/t14-,16-,18-,19+,23-,26-,27-,28-,29-,30-/m0/s1
InChIKey: SZXITMVEKFHHKF-GAKIQRCLSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2(CCC3=CCC4C5=C(C(=O)C(O2)C34)C2CCCCC2CC5=O)O1

Scaffold Graph/Node level:
OC1CCC2(CCC3CCC4C3C(O2)C(O)C2C3CCCCC3CC(O)C42)O1

Scaffold Graph level:
CC1CCC2(CCC3CCC4C3C(C2)C(C)C2C3CCCCC3CC(C)C42)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:
austrolactone

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External chemical identifiers:
CID_10482058; ZINC_ZINC000255269594

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Chemical structure download