Summary

Molecular formula: C37H56O9
SMILES: O=C(C[C@](CC(=O)O)(O)C)O[C@H]1CC[C@]2([C@H](C1(C)C)[C@H](O)CC1=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
InChI: InChI=1S/C37H56O9/c1-19(14-26-20(2)21(3)32(43)45-26)22-10-13-36(8)24-15-25(38)31-33(4,5)28(46-30(42)18-34(6,44)17-29(40)41)11-12-35(31,7)23(24)16-27(39)37(22,36)9/h19,22,25-28,31,38-39,44H,10-18H2,1-9H3,(H,40,41)/t19-,22-,25-,26+,27+,28+,31+,34+,35-,36+,37+/m1/s1
InChIKey: NBCPQLQTQKPUNE-OVLAPWHISA-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 f

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External chemical identifiers:
CID_139590976; NPATLAS_NPA023723; CHEMSPIDER_78442194

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Chemical structure download