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Sennoside C - 98%, high purity , CAS No.37271-16-2
Basic Description
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Anthracenes
Subclass
Anthracenecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Anthracenecarboxylic acids
Alternative Parents
Phenolic glycosides Naphthalenecarboxylic acids O-glycosyl compounds Hydroxybenzoic acid derivatives Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes Vinylogous acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthracene carboxylic acid - Phenolic glycoside - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Glycosyl compound - O-glycosyl compound - Hydroxybenzoic acid - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Oxane - Vinylogous acid - Secondary alcohol - Ketone - Carboxylic acid derivative - Carboxylic acid - Polyol - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic alcohol - Primary alcohol - Organic oxide - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
External Descriptors
Anthrone type
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(9R)-4-hydroxy-9-[(9R)-4-hydroxy-2-(hydroxymethyl)-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
INCHI
InChI=1S/C42H40O19/c43-11-14-7-18-26(16-3-1-5-22(30(16)34(50)28(18)20(46)8-14)58-41-38(54)36(52)32(48)24(12-44)60-41)27-17-4-2-6-23(59-42-39(55)37(53)33(49)25(13-45)61-42)31(17)35(51)29-19(27)9-15(40(56)57)10-21(29)47/h1-10,24-27,32-33,36-39,41-49,52-55H,11-13H2,(H,56,57)/t24-,25-,26-,27-,32-,33-,36+,37+,38-,39-,41-,42-/m1/s1
InChIKey
ZFWOUNNKSHIAFK-RDAFFBQNSA-N
Smiles
C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO
Isomeric SMILES
C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)CO
PubChem CID
46173829
Molecular Weight
848.77
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
848.800 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
12
Hydrogen Bond Acceptor Count
19
Rotatable Bond Count
9
Exact Mass
848.216 Da
Monoisotopic Mass
848.216 Da
Topological Polar Surface Area
331.000 Ų
Heavy Atom Count
61
Formal Charge
0
Complexity
1580.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
12
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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