Punigluconin

ChemSpider ID: 10272889
Molecular Formula: C₃₄H₂₆O₂₃
Average mass: 802.556396 Da
Monoisotopic mass: 802.086487 Da
Systematic name

(2R,3S)-3-[(7R,8R)-1,2,3,8,13,14,15-Heptahydroxy-5,11-dioxo-5,8,9,11-tetrahydro-7H-dibenzo[g,i][1,5]dioxacycloundecin-7-yl]-2,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propanoic acid
SMILES and InChIs

SMILES:

Oc1cc(cc(O)c1O)C(=O)O[C@@H](C(O)=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]4OC(=O)c5cc(O)c(O)c(O)c5c3c(O)c(O)c(O)cc3C(=O)OC[C@H]4O Copied

Std. InChI:

InChI=1S/C34H26O23/c35-12-1-8(2-13(36)21(12)42)31(50)56-28(29(30(48)49)57-32(51)9-3-14(37)22(43)15(38)4-9)27-18(41)7-54-33(52)10-5-16(39)23(44)25(46)19(10)20-11(34(53)55-27)6-17(40)24(45)26(20)47/h1-6,18,27-29,35-47H,7H2,(H,48,49)/t18-,27-,28+,29-/m1/s1 Copied

Std. InChIKey:

KZEYIYXACMUTRM-WIMKJKQSSA-N Copied
Cite this record
CSID:10272889, http://www.chemspider.com/Chemical-Structure.10272889.html (accessed 13:18, May 24, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.