KADSURIC ACID

HCID 5384417CAS 62393-88-8

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Basic information

Standard SMILES
C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O
InChIKey
JGNPDWQZTUZFHK-LYNKRMMFSA-N
Molecular formula
C30H46O4
Average molar mass
470.694 g/mol
Monoisotopic mass
470.33960995

Names & identifiers

Preferred name
KADSURIC ACID
IUPAC
(2Z,6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-Carboxyethyl)-3a,6,9b-trimethyl-7-(prop-1-en-2-yl)-2,3,3a,4,6,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid
English name
(24Z)-3,4-Secolanosta-4(28),9(11),24-triene-3,26-dioic acid
Molecular formula
C30H46O4
Molecular weight
470.68

Names & synonyms

Kadsuric acid3,4-Secolanosta-4(28),9(11),24Z-triene-3,26-dioic acid(24Z)-3,4-Secolanosta-4(28),9(11),24-triene-3,26-dioic acid(Z,6R)-6-[(3aR,6S,7S,9aS,9bS)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8,9,9a-octahydrocyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoicaci1H-Benz[e]indene-6-propanoic acid,3-[(1R,4Z)-5-carboxy-1-methyl-4- hexenyl]-2,3,3a,4,6,7,8,9,9a,9b-decahydro-3a,6,- 9b-trimethyl-7-(1-methylethenyl)-,(3R,3aR,- 6S,7S,9aR,9bS)-

Database identifiers

CAS
62393-88-8
PubChem CID
5384417
DTXSID
DTXSID50419527
ChEMBL
CHEMBL1976802

Properties

Physicochemical properties

Boiling point
605.997 · 605.997±28.00 °C(Press: 760.00 Torr)(predicted)
Density
1.079 · 1.079±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
solubility
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form
Powder
pka
4.726 · 4.726±0.10(predicted)

Chemistry & industry

Applications

UsesKadsuric acid is a Triterpenoids product that can be isolated from the fruits of Schisandra sphenanthera[1].

Suppliers33 total

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]

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