Scutellarioside II

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Systematic / IUPAC Name: [(1aS,1bS,2S,5aR,6S,6aS)-6-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-1a-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

ID: Reference8263

Other Names: 2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)-

Formula: C24H28O12

Spectral Data

Scutellarioside II 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 FAIMS
No. of Spectral Trees 4
No. of Spectra 5101
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2018 1:02:53 PM
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Identificators

InChI InChI=1S/C24H28O12/c25-9-14-18(29)19(30)20(31)23(34-14)35-22-16-13(7-8-32-22)17(28)21-24(16,36-21)10-33-15(27)6-3-11-1-4-12(26)5-2-11/h1-8,13-14,16-23,25-26,28-31H,9-10H2/b6-3+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
InChI Key MVTLXFDHKDVAIC-LQQBYVAQSA-N
Canonical SMILES C1=COC(C2C1C(C3C2(O3)COC(=O)C=CC4=CC=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O
CAS 58286536
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Other Names 2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1b,5a,6,6a-tetrahydro-6-hydroxyoxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl ester, (2E)-

In Other Databases

PubChem 6443034
ChemIDPlus 058286536
ChemSpider 4947076