{(3R,5R,6S,8S)-3-[(6-O-Benzoyl-β-D-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]dec-2-yl}methyl benzoate

enlarge

Systematic / IUPAC Name: {(3R,5R,6S,8S)-3-[(6-O-Benzoyl-β-D-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]dec-2-yl}methyl benzoate

ID: Reference7738

Other Names: β-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl, 6-benzoate

Formula: C30H32O12

Spectral Data

{(3R,5R,6S,8S)-3-[(6-O-Benzoyl-β-D-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]dec-2-yl}methyl benzoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/10/2018 8:21:27 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C30H32O12/c1-27-14-29(36)19-12-30(27,28(19,26(41-27)42-29)15-38-24(35)17-10-6-3-7-11-17)40-25-22(33)21(32)20(31)18(39-25)13-37-23(34)16-8-4-2-5-9-16/h2-11,18-22,25-26,31-33,36H,12-15H2,1H3/t18-,19-,20-,21+,22-,25+,26-,27+,28?,29+,30+/m1/s1
InChI Key LATYEZNGPQKAIK-ILMDLUHMSA-N
Canonical SMILES [C@]12(C[C@H]3[C@@]4(C[C@]1(C)O[C@H](C23COC(=O)c1ccccc1)O4)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)c1ccccc1)O)O)O
CAS
Splash
Other Names β-D-Glucopyranoside, (1aR,2S,5S,5aR)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl, 6-benzoate

In Other Databases

ChemSpider 22912910