Summary

Molecular formula: C28H46O4
SMILES: O[C@H]1CC[C@]2([C@@]3(C1)O[C@H]3[C@@H]1[C@@](C2=O)(O)[C@@H]2CC[C@@H]([C@]2(CC1)C)[C@@H](CC[C@@H](C(C)C)C)C)C
InChI: InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-22-25(20,5)13-12-21-23-27(32-23)15-19(29)11-14-26(27,6)24(30)28(21,22)31/h16-23,29,31H,7-15H2,1-6H3/t17-,18+,19-,20+,21+,22+,23-,25+,26+,27-,28+/m0/s1
InChIKey: ORJCVBFQWXNRJY-BNMVFICBSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2C3CCCC3CCC2C2OC23CCCCC13

Scaffold Graph/Node level:
OC1C2C3CCCC3CCC2C2OC23CCCCC13

Scaffold Graph level:
CC1C2C3CCCC3CCC2C2CC23CCCCC13

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Chemical classification

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

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Synonymous chemical names:
pleurocin b

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External chemical identifiers:
CID_138963630; NPATLAS_NPA024252; CHEMSPIDER_78439466

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Chemical structure download