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5975-78-0 molecular structure
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(3S)-14,16-dihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecine-1,7-dione

ChemBase ID: 133648
Molecular Formular: C18H24O5
Molecular Mass: 320.38016
Monoisotopic Mass: 320.16237387
SMILES and InChIs

SMILES:
C[C@H]1CCCC(=O)CCCCCc2cc(cc(c2C(=O)O1)O)O
Canonical SMILES:
C[C@H]1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O
InChI:
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1
InChIKey:
APJDQUGPCJRQRJ-LBPRGKRZSA-N

Cite this record

CBID:133648 http://www.chembase.cn/molecule-133648.html

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