3-Acetylaleuritolic acid

CAS Registry Number®

28937-85-1
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CAS Name

3-Acetylaleuritolic acid

Molecular Formula

C32H50O4

Molecular Mass

498.74

Cite this Page

3-Acetylaleuritolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=28937-85-1 (retrieved 2024-04-25) (CAS RN: 28937-85-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    301-302 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1

InChIKey

InChIKey=UROPGAQBZGIPQC-VUHMTIHWSA-N

SMILES

C[C@]12C([C@@]3(C)[C@](CC1)([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](OC(C)=O)CC4)[H])[H])=CC[C@]5(C(O)=O)[C@]2(CC(C)(C)CC5)[H]

Canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C(=CCC5(C(=O)O)CCC(C)(C)CC45)C3(C)CCC2C1(C)C)C)C

Other Names for this Substance

  • 27-Norolean-14-en-28-oic acid, 3-(acetyloxy)-13-methyl-, (3β,13α)-
  • D-Friedoolean-14-en-28-oic acid, 3β-hydroxy-, acetate
  • D-Friedoolean-14-en-28-oic acid, 3-(acetyloxy)-, (3β)-
  • (3β,13α)-3-(Acetyloxy)-13-methyl-27-norolean-14-en-28-oic acid
  • Acetylaleuritolic acid

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