Sennoside B calcium salt structure, CAS 52730-37-7

Sennoside B calcium salt

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)%

Density

Boiling Point1144.8ºC at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9043844 Purity: ≥97 (CP)%
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Quality Control of [ 52730-37-7 ] Purity: ≥97 (CP)% SDS Specification MoL

Chemical & Physical Properties
CAS Number52730-37-7
Catalog No.2A-9043844
Chinese Name番泻甙 B 钙盐
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
PubChem ID329762591
MDL NumberMFCD11656126
SMILESCC(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
InChI1S/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 KeyFAPWYRCQGJNNSJ-DXAJRXMUSA-L
NACRES CodeNA.24
UNSPSC12352205
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