Summary

Molecular formula: C38H58O9
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(=C1CO)C)C)C)C)(O)C
InChI: InChI=1S/C38H58O9/c1-21(16-27-23(20-39)22(2)33(43)46-27)24-12-15-37(7)25-10-11-28-34(3,4)30(47-32(42)19-35(5,44)18-31(41)45-9)13-14-36(28,6)26(25)17-29(40)38(24,37)8/h21,24,27-30,39-40,44H,10-20H2,1-9H3/t21-,24-,27+,28+,29+,30-,35+,36-,37+,38+/m1/s1
InChIKey: POUMRIGFOZCMNW-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 c

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External chemical identifiers:
CID_139590972; NPATLAS_NPA023719; CHEMSPIDER_78442190

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Chemical structure download