
CAS Number52730-37-7
Synonymscalcium 9-[(9S)-2-carboxylato-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylate; calcium 9-[(9S)-2-carboxylato-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylate; calcium 9-[(9S)-2-carboxylato-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracene-2-carboxylate; calcium
Molecular Formula[HOCH2C(CH3)2CH(OH)CO15NH(13CH2)213CO2]2·Ca
Molecular Weight484.47
Purity≥97 (CP)%
Boiling Point1144.8ºC at 760 mmHg
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 52730-37-7 |
| Catalog No. | 2A-9043844 |
| Chinese Name | 番泻甙 B 钙盐 |
| Synonyms | calcium 9-[(9S)-2-carboxylato-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylate; calcium 9-[(9S)-2-carboxylato-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-9H-anthracene-2-carboxylate; calcium 9-[(9S)-2-carboxylato-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-9H-anthracene-2-carboxylate; calcium |
| Molecular Formula | [HOCH2C(CH3)2CH(OH)CO15NH(13CH2)213CO2]2·Ca |
| Molecular Weight | 484.47 |
| Purity | ≥97 (CP) |
| Boiling Point | 1144.8ºC at 760 mmHg |
| Appearance | powder |
| PubChem ID | 329762591 |
| MDL Number | MFCD11656126 |
| SMILES | CC(C)(CO)[C@@H](O)C(=O)[15NH][13CH2][13CH2][13C](=O)O[Ca]O[13C](=O)[13CH2][13CH2][15NH]C(=O)[C@H](O)C(C)(C)CO |
| InChI | 1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1/i2*3+1,4+1,6+1,10+1; |
| InChI Key | FAPWYRCQGJNNSJ-DXAJRXMUSA-L |
| NACRES Code | NA.24 |
| UNSPSC | 12352205 |
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