Summary

Molecular formula: C38H58O8
SMILES: COC(=O)C[C@@](CC(=O)O[C@@H]1CC[C@]2([C@H](C1(C)C)CCC1=C2C[C@H](O)[C@]2([C@@]1(C)CC[C@@H]2[C@@H](C[C@@H]1OC(=O)C(=C1C)C)C)C)C)(O)C
InChI: InChI=1S/C38H58O8/c1-21(17-27-22(2)23(3)33(42)45-27)24-13-16-37(8)25-11-12-28-34(4,5)30(46-32(41)20-35(6,43)19-31(40)44-10)14-15-36(28,7)26(25)18-29(39)38(24,37)9/h21,24,27-30,39,43H,11-20H2,1-10H3/t21-,24-,27+,28+,29+,30-,35+,36-,37+,38+/m1/s1
InChIKey: SKKGKBYNUUBYFX-QGGAKJLRSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(CCC2CCC3C4=C(CCC23)C2CCCCC2CC4)O1

Scaffold Graph/Node level:
OC1CCC(CCC2CCC3C2CCC2C4CCCCC4CCC32)O1

Scaffold Graph level:
CC1CCC(CCC2CCC3C2CCC2C4CCCCC4CCC32)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:
palustrisolide a

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External chemical identifiers:
CID_139590970; NPATLAS_NPA023717; CHEMSPIDER_78442188

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Chemical structure download