CAS Registry Number®
508-02-1
CAS Name
Oleanolic acid
Molecular Formula
C30H48O3
Molecular Mass
456.70
Compound Properties
-
Melting Point (1)
310 °C (decomp)
-
Density (2)
1.10 g/cm³ (Solid)
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Wei, Ming-Chi; Journal of Industrial and Engineering Chemistry (Amsterdam, Netherlands), (2017), 48, 202-211, CAplus
Other Names and Identifiers
InChI
InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
InChIKey
InChIKey=MIJYXULNPSFWEK-GTOFXWBISA-N
SMILES
C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O)CC5)[H])[H]
Canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-
- Olean-12-en-28-oic acid, 3β-hydroxy-
- (3β)-3-Hydroxyolean-12-en-28-oic acid
- Caryophyllin
- Oleanolic acid
- Oleanic acid
- 3β-Hydroxyolean-12-en-28-oic acid
- Giganteumgenin C
- Virgaureagenin B
- Astrantiagenin C
- (+)-Oleanolic acid
- Gledigenin 1
- NSC 114945
- Oleonolic acid
- MeSH ID: D009828
Deleted or Replaced CAS Registry Numbers
2088830-42-4
