(3β)-3-[(1-Oxohexadecyl)oxy]olean-12-en-28-oic acid

CAS Registry Number®

19833-14-8
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CAS Name

(3β)-3-[(1-Oxohexadecyl)oxy]olean-12-en-28-oic acid

Molecular Formula

C46H78O4

Molecular Mass

695.11

Cite this Page

(3β)-3-[(1-Oxohexadecyl)oxy]olean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19833-14-8 (retrieved 2024-09-21) (CAS RN: 19833-14-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123-124 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C46H78O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(47)50-38-26-27-43(6)36(42(38,4)5)25-28-45(8)37(43)24-23-34-35-33-41(2,3)29-31-46(35,40(48)49)32-30-44(34,45)7/h23,35-38H,9-22,24-33H2,1-8H3,(H,48,49)/t35-,36-,37+,38-,43-,44+,45+,46-/m0/s1

InChIKey

InChIKey=WAESUNHGNAUFBW-SWSFNTIQSA-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](OC(CCCCCCCCCCCCCCC)=O)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCC

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(1-oxohexadecyl)oxy]-, (3β)-
  • Olean-12-en-28-oic acid, 3β-hydroxy-, palmitate
  • (3β)-3-[(1-Oxohexadecyl)oxy]olean-12-en-28-oic acid
  • Oleanolic acid palmitate