(2E)-5-{(1R,4aS,5S,6R,8aS)-5-[(β-D-Glucopyranosyloxy)methyl]-6-hydroxy-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl}-3-methyl-2-penten-1-yl β-D-glucopyranoside

enlarge

Systematic / IUPAC Name: (2R,3R,4S,5S,6R)-2-[(E)-5-[(1R,4aS,5S,6R,8aS)-6-Hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

ID: Reference8192

Other Names: β-D-Glucopyranoside, (2E)-5-[(1R,4aS,5S,6R,8aS)-5-[(β-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl

Formula: C32H54O13

Spectral Data

(2E)-5-{(1R,4aS,5S,6R,8aS)-5-[(β-D-Glucopyranosyloxy)methyl]-6-hydroxy-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl}-3-methyl-2-penten-1-yl β-D-glucopyranoside 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 4
No. of Spectra 6092
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/3/2018 9:16:02 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C32H54O13/c1-16(10-12-42-29-27(40)25(38)23(36)19(13-33)44-29)5-7-18-17(2)6-8-21-31(18,3)11-9-22(35)32(21,4)15-43-30-28(41)26(39)24(37)20(14-34)45-30/h10,18-30,33-41H,2,5-9,11-15H2,1,3-4H3/b16-10+/t18-,19-,20-,21+,22-,23-,24-,25+,26+,27-,28-,29-,30-,31+,32-/m1/s1
InChI Key QIOMMMCQFIBVKA-PPQBIMEKSA-N
Canonical SMILES CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC2C(=C)CCC3C2(CCC(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)C
CAS
Splash
Other Names β-D-Glucopyranoside, (2E)-5-[(1R,4aS,5S,6R,8aS)-5-[(β-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-2-penten-1-yl

In Other Databases

ChemSpider 29814591
PubChem 13855771