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22786-93-2 molecular structure
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(1R,2S,7S,10R,11S,14R,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadecan-5-one

ChemBase ID: 170506
Molecular Formular: C18H28O2
Molecular Mass: 276.41372
Monoisotopic Mass: 276.20893014
SMILES and InChIs

SMILES:
C1CC(=O)C[C@H]2[C@H]1[C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H](CC2)O)C
Canonical SMILES:
O=C1CC[C@H]2[C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C
InChI:
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17+,18-/m0/s1
InChIKey:
RHVBIEJVJWNXBU-PUQYTDRFSA-N

Cite this record

CBID:170506 http://www.chembase.cn/molecule-170506.html

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