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CAS RN 1415-73-2

OH(R)O(S)(R)HO(R)HO(S)OH(R)OHOOHHO

CAS RN 1415-73-2

IUPAC Name: (10R)-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
Synonyms: barbaloin barbaloin, β-d-isomer barbaloin, monoglucoside (S)-isomer barbaloin isobarbaloin barbaloin, β-D- barbaloin, β-d- barbaloin, (S)-isomer aloinum aloin A
Molecular Weight (g/mol): 418.4
Molecular Formula: C21H22O9
InChi Key: AFHJQYHRLPMKHU-WEZNYRQKSA-N
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(CO)C=C12
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1

phyproof™ Aloin A, ≥95% (HPLC), MilliporeSigma™ Supelco™

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

2

Aloin

CAS: 1415-73-2 Molecular Formula: C21H22O9 Molecular Weight (g/mol): 418.40 MDL Number: MFCD00151160 InChI Key: AFHJQYHRLPMKHU-WEZNYRQKSA-N Synonym: barbaloin,aloin,aloin a,aloinum,aloin ban,dsstox_cid_25967,10s-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-1-9s-4,5-dihydroxy-2-hydroxymethyl-10-oxo-9,10-dihydroanthracen-9-yl-d-glucitol,10-1',5'-anhydroglucosyl aloe-emodin-9-anthrone,barbaloin a PubChem CID: 12305761 ChEBI: CHEBI:2991 SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(CO)C=C12

PubChem CID 12305761
CAS 1415-73-2
Molecular Weight (g/mol) 418.40
ChEBI CHEBI:2991
MDL Number MFCD00151160
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C2=CC=CC(O)=C2C(=O)C2=C(O)C=C(CO)C=C12
Synonym barbaloin,aloin,aloin a,aloinum,aloin ban,dsstox_cid_25967,10s-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-1-9s-4,5-dihydroxy-2-hydroxymethyl-10-oxo-9,10-dihydroanthracen-9-yl-d-glucitol,10-1',5'-anhydroglucosyl aloe-emodin-9-anthrone,barbaloin a
InChI Key AFHJQYHRLPMKHU-WEZNYRQKSA-N
Molecular Formula C21H22O9