Basic information
- CAS
11006-91-0- Standard SMILES
CC1OC(OCc2cc(O)c3c(c2)C(C2OC(CO)C(O)C(O)C2O)c2cccc(O)c2C3=O)C(O)C(O)C1O- InChIKey
BUPDVJFRVYWYEV-UHFFFAOYSA-N- Molecular formula
- C27H32O13
- Average molar mass
- 564.5 g/mol
- Monoisotopic mass
- 564.18429107
Names & identifiers
- Preferred name
- 1,8-dihydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-10H-anthracen-9-one
- IUPAC
- 1,8-dihydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-10H-anthracen-9-one
- English name
- Aloinoside B
- Molecular formula
- C27H32O13
- Molecular weight
- 564.54
Names & synonyms
1,8-dihydroxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-10H-anthracen-9-oneNSC227188NSC-227188FA165629FA165651Aloinoside BEmodin Impurity 21Dithranol Impurity 511-o-Rhamnosylaloin B9(10H)-Anthracenone,3-[[(6-deoxy-a-L-mannopyranosyl)oxy]methyl]-10-b-D-glucopyranosyl-1,8-dihydroxy-,(10R)-9(10H)-Anthracenone, 3-[[(6-deoxy-α-L-mannopyranosyl)oxy]methyl]-10-β-D-glucopyranosyl-1,8-dihydroxy-, (10R)-
Database identifiers
- CAS
11006-91-0- PubChem CID
- 313324
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 890
Experimental & physicochemical properties
Melting Point233 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 862.1 · 862.1±65.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 7.05 · 7.05±0.40(Predicted)
- FDA UNII
- 23 W95EU5SK · 23W95EU5SK
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses11006-91-0
Suppliers25 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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