(3β,9ξ)-3-(β-D-Glucopyranosyloxy)-14-hydroxycarda-5,20(22)-dienolide

enlarge

Systematic / IUPAC Name: 3-[(3S,8R,10R,13R,14S,17R)-14-Hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

ID: Reference8501

Other Names: Carda-5,20(22)-dienolide, 3-(β-D-glucopyranosyloxy)-14-hydroxy-, (3β,9ξ)-

Formula: C29H42O9

Spectral Data

(3β,9ξ)-3-(β-D-Glucopyranosyloxy)-14-hydroxycarda-5,20(22)-dienolide 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 6242
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/21/2019 7:01:29 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C29H42O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h3,11,17-21,23-26,30,32-35H,4-10,12-14H2,1-2H3/t17-,18+,19?,20+,21+,23+,24-,25+,26+,27-,28+,29-/m0/s1
InChI Key ZSBANYQFXZZUDM-ZNIFQBPJSA-N
Canonical SMILES CC12CCC(CC1=CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)CO)O)O)O
CAS
Splash
Other Names Carda-5,20(22)-dienolide, 3-(β-D-glucopyranosyloxy)-14-hydroxy-, (3β,9ξ)-

In Other Databases

PubChem 45360026
ChemSpider 22913897