(1β,3β,5β,8ξ,9ξ,11α)-3-[(6-Deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide

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

ID: Reference8502

Other Names: 3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;
Card-20(22)-enolide, 3-[(6-deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,8ξ,9ξ,11α)-

Formula: C29H44O12

Spectral Data

(1β,3β,5β,8ξ,9ξ,11α)-3-[(6-Deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxycard-20(22)-enolide 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 1
No. of Spectra 3654
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/21/2019 12:28:20 PM
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Identificators

InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15+,16-,17?,18-,19-,21?,22+,23+,24+,25+,26-,27+,28-,29+/m1/s1
InChI Key LPMXVESGRSUGHW-RSTGETGLSA-N
Canonical SMILES CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O
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Other Names 3-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one;
Card-20(22)-enolide, 3-[(6-deoxy-β-D-talopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1β,3β,5β,8ξ,9ξ,11α)-

In Other Databases

PubChem 23900060
ChemSpider 22912850