(3β,5ξ,6α,9ξ,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl β-D-glucopyranoside
(3β,5ξ,6α,9ξ,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl β-D-glucopyranoside Structure
Systematic / IUPAC Name: (2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
ID: Reference8498
Other Names: β-D-Glucopyranoside, (3β,5ξ,6α,9ξ,12β)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl
Formula: C42H72O14
Spectral Data
(3β,5ξ,6α,9ξ,12β)-20-(β-D-Glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1724 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/19/2019 12:40:23 PM |
Identificators
| InChI | InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28-,29+,30+,31-,32-,33+,34+,35?,36+,37-,39+,40+,41+,42-/m0/s1 |
| InChI Key | YURJSTAIMNSZAE-ILDRPQKSSA-N |
| Canonical SMILES | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranoside, (3β,5ξ,6α,9ξ,12β)-20-(β-D-glucopyranosyloxy)-3,12-dihydroxydammar-24-en-6-yl |