10,12-Dihydroxy-5-methyl-2,3,4,5-tetrahydro-1aH-oxireno[H][3]benzoxacyclododecine-7,13(8H,13aH)-dione

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Systematic / IUPAC Name: 10,12-Dihydroxy-5-methyl-2,3,4,5-tetrahydro-1aH-oxireno[H][3]benzoxacyclododecine-7,13(8H,13aH)-dione

ID: Reference7562

Other Names: 3H-Oxireno[H][3]benzoxacyclododecin-7,13(2H,8H)-dione, 1a,4,5,13a-tetrahydro-10,12-dihydroxy-5-methyl-

Formula: C16H18O6

Spectral Data

10,12-Dihydroxy-5-methyl-2,3,4,5-tetrahydro-1aH-oxireno[H][3]benzoxacyclododecine-7,13(8H,13aH)-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/16/2018 11:03:29 AM
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Identificators

InChI InChI=1S/C16H18O6/c1-8-3-2-4-12-16(22-12)15(20)14-9(6-13(19)21-8)5-10(17)7-11(14)18/h5,7-8,12,16-18H,2-4,6H2,1H3
InChI Key BVDHPBILFRQGEC-UHFFFAOYSA-N
Canonical SMILES CC1CCCC2C(O2)C(=O)C3=C(C=C(C=C3CC(=O)O1)O)O
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Other Names 3H-Oxireno[H][3]benzoxacyclododecin-7,13(2H,8H)-dione, 1a,4,5,13a-tetrahydro-10,12-dihydroxy-5-methyl-

In Other Databases

PubChem 14314904
ChemSpider 22369771