| 2D Structure | |
| CID | 9866696 |
| IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one |
| 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 |
| InChI Key | AFHJQYHRLPMKHU-CGISPIQUSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C21H22O9 |
| Molecular Weight | 418.4 |
| synonyms | ['aloin', 'Alloin', 'Aloin, curaco', 'Aloin, Cape', 'Aloins', '8015-61-0', 'W41H6S09F4', 'Aloinum', 'CHEBI:73222', "10-(1,5'-Anhydroglucosyl)aloe-emodin-9-anthrone", "10-(1',5'-Anhydroglucosyl)aloe-emodin-9-anthrone", '10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10H)-anthrone', '1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one', '(1S)-1,5-anhydro-1-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol', 'NSC227189', 'NSC631263', '(1S)-1,5-anhydro-1-(4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl)-D-glucitol', '1,8-dihydroxy-3-(hydroxymethyl)-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-10H-anthracen-9-one', 'RefChem:27138', 'DTXSID6048755', 'NSC407305', '452311-56-7', 'UNII-W41H6S09F4', 'CHEMBL497001', 'AI3-19097', '10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone', '10-beta-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10H)-one', '9(10H)-Anthracenone, 10-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-', '5133-19-7', 'aloin A/B', 'Alloin (mixture of AampB)', 'orb1301590', 'SCHEMBL4974144', 'GTPL12498', 'HY-N6013', 'BDBM50269016', 'EBC-27028', 'AKOS015895347', 'CCG-230807', 'DB15477', 'SMP1_000011', '1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one', 'MS-27308', 'CS-0032167', 'EN300-19740121', 'BRD-A63615100-001-02-1', 'BRD-A63615100-001-03-9', 'Q27140379', '1,8- Dihydroxy-3-hydroxymethyl-10-beta-D-glucopyranosyl-9-anthron', '10-| cent-D-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone', '1,8-dihydroxy-3-(hydroxymethyl)-10-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)anthracen-9(10H)-one', '1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10H-anthracen-9-one'] |
From Pubchem