RHEIN-8-O-BETA-D-GLUCOPYRANOSIDE

CAS No.
113443-70-2
CCD No.
CCD08092327
Formula
C42 H34 Ca O22
MolWeight
930.787

Basic Information

Product Name: RHEIN-8-O-BETA-D-GLUCOPYRANOSIDE
CAS: 113443-70-2
English Synonyms: NO NAME SUPPLIED ; RHEIN-8-O-BETA-D-GLUCOPYRANOSIDE
MDL Number.: MFCD01744469
H bond acceptor: 22
H bond donor: 10
Smile: c1cc2c(c(c1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)c4c(cc(cc4O)C(=O)O[Ca]OC(=O)c5cc6c(c(c5)O)C(=O)c7c(cccc7O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C6=O)C2=O
InChi: InChI=1S/2C21H18O11.Ca/c2*22-6-12-16(25)18(27)19(28)21(32-12)31-11-3-1-2-8-14(11)17(26)13-9(15(8)24)4-7(20(29)30)5-10(13)23;/h2*1-5,12,16,18-19,21-23,25,27-28H,6H2,(H,29,30);/q;;+2/p-2/t2*12-,16-,18+,19-,21-;/m11./s1
InChiKey: InChIKey=AZVJESIQTIROTM-JKCHPDJSSA-L

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