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Substance Name: Aldona ethyl enol ether
RN: 2649-76-5
InChIKey: PFOMZLRVGKNKCE-PXFMPXEPSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C24-H34-O3

Molecular Weight

  • 370.5296
 
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Names and Synonyms

Name of Substance

  • Aldona ethyl enol ether

Synonyms

  • 3-Ethoxy-pregna-4,6-diene-21-carboxylic acid, hydroxy-gamma-lactone
  • Aldona ethyl enol ether
  • BRN 1297803
  • EC 220-165-4
  • EINECS 220-165-4
  • SC-11982

Systematic Names

  • 3-Ethoxypregna-3,5-diene-21,17alpha-carbolactone
  • Pregna-3,5-diene-21-carboxylic acid, 3-ethoxy-17-hydroxy-, gamma-lactone, (17-alpha)-

Registry Numbers

CAS Registry Number

  • 2649-76-5

System Generated Number

  • 0002649765

Structure Descriptors

InChI

1S/C24H34O3/c1-4-26-17-7-11-22(2)16(15-17)5-6-18-19(22)8-12-23(3)20(18)9-13-24(23)14-10-21(25)27-24/h5,15,18-20H,4,6-14H2,1-3H3/t18-,19+,20+,22+,23+,24-/m1/s1

InChIKey

PFOMZLRVGKNKCE-PXFMPXEPSA-N

Smiles

CCOC1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 3gm/kg (3000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 156, 1992.