ALOIN

CAS No.
28371-16-6 ;1415-73-2 ;5133-19-7
CCD No.
CCD00066246
Formula
C21 H22 O9
MolWeight
418.396

Basic Information

Product Name: ALOIN
CAS: 28371-16-6 ;1415-73-2 ;5133-19-7
English Synonyms: ALOIN ; ALOINS A AND B ; ALOIN B ; 10-(1',5'-ANHYDROGLUCOSYL)ALOE-EMODIN-9-ANTHRONE ; BARBALOIN ; 10-GLUCOPYRANOSYL-1,8-DIHYDROXY-3-HYDROXYMETHYL-9(10H)-ANTHRACENONE ; ALOIN A AND B ; ALOIN??? ; 1,8-DIHYDROXY-3-HYDROXYMETHYL-10-(6-HYDROXYMETHYL-3,4,5-TRIHYDROXY-2-PYRANYL)ANTHRONE
MDL Number.: MFCD00137579
H bond acceptor: 9
H bond donor: 7
Smile: c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)CO)C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChi: InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1
InChiKey: InChIKey=AFHJQYHRLPMKHU-CGISPIQUSA-N

Property

Melting Point: 148~149℃

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315,H319,H335
Precautionary statements: P261,P305+P351+P338
hazard symbol: Xi
Risk Code: R:R36/37/38;
Safe Code: S:S26;S36;
WGK Germany: 3

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