631-01-6

Name (3beta,4alpha,16alpha)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid
CAS 631-01-6
EINECS(EC#) 211-149-8
Molecular Formula C30H46O5
MDL Number MFCD22479218
Molecular Weight 486.683
MOL File 631-01-6.mol
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Chemical Properties

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

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