ChemicalBook--->CAS DataBase List--->631-01-6

631-01-6

631-01-6 Structure

631-01-6 Structure
IdentificationBack Directory
[Name]

(3beta,4alpha,16alpha)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
[CAS]

631-01-6
[Synonyms]

QUILLAIA
quillaic acid
QUILLAJAEXTRACTS
QUILLAIAEXTRACTS
Einecs 211-149-8
EXTRACTOFQUILLAIA
Saponbark extract
Quillaja sapogenin
Saponin bark extract
Quillaic acid 631-01-6
quillaic acid, HPLC≥98%
Quillaic acid USP/EP/BP
Quillaja Saponaria Extract
Soapbark (saponaria) extract
Quillaic acid(Quillaja sapogenin)
3β,16α-Dihydroxy-23-oxooleana-12-ene-28-oic acid
(4S)-3β,16α-Dihydroxy-23-oxoolean-12-en-28-oic acid
Olean-12-en-28-oicacid, 3,16-dihydroxy-23-oxo-, (3b,4a,16a)-
Olean-12-en-28-oic acid, 3,16-dihydroxy-23-oxo-, (3β,4α,16α)-
(3beta,4alpha,16alpha)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
Olean-12-en-28-oic acid, 3,16-dihydroxy-23-oxo-, (3.beta.,4.alpha.,16.alpha.)-
[EINECS(EC#)]

211-149-8
[Molecular Formula]

C30H46O5
[MDL Number]

MFCD22479218
[MOL File]

631-01-6.mol
[Molecular Weight]

486.683
Chemical PropertiesBack Directory
[Melting point ]

294℃
[alpha ]

D20 +56.1° (c = 2.9 in pyridine)
[Boiling point ]

502.54°C (rough estimate)
[density ]

1.0220 (rough estimate)
[refractive index ]

1.5800 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetone (Slightly), DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
[form ]

Solid
[pka]

4.41±0.70(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChIKey]

MQUFAARYGOUYEV-RMRVVFRMNA-N
[SMILES]

[C@@H]1(O)[C@@](C2[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@@]1([C@@](CCC(C1)(C)C)(C(O)=O)[C@H](O)C3)[H])C)(C)CC2)(C)C=O |&1:0,2,4,8,10,11,15,16,26,r|
[CAS DataBase Reference]

631-01-6
Hazard InformationBack Directory
[Uses]

Quillaic Acid an unglycosylated saponin from the Quillaja saponaria bark is used as a topical antiinflammatory.
[Definition]

ChEBI: A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 3 and 16, an oxo group at position 23 and a carboxy group at position 28 (the 3beta,16alpha stereoisomer).
Spectrum DetailBack Directory
[Spectrum Detail]

Quillaic acid(631-01-6)1HNMR
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