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Substance Name: 3-Hydroxyetianic acid
RN: 38775-99-4
InChIKey: KAYYIYDHRSEWHR-VBBBUPHZSA-N

Note

  • Isoetianic acid is the 3 beta-hydroxy isomer.

Molecular Weight

  • 320.47
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxyetianic acid

Synonyms

  • 3alpha-Hydroxy-5beta-androstan-17beta-carboxylic acid
  • 3alpha-Hydroxy-5beta-etianic acid
  • Isoetianic acid

Systematic Name

  • Androstane-17-carboxylic acid, 3-hydroxy-, (3alpha,5beta,17beta)-

Registry Numbers

CAS Registry Number

  • 38775-99-4

System Generated Number

  • 0038775994

Structure Descriptors

InChI

1S/C20H32O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h12-17,21H,3-11H2,1-2H3,(H,22,23)/t12-,13-,14+,15+,16+,17-,19+,20+/m1/s1

InChIKey

KAYYIYDHRSEWHR-VBBBUPHZSA-N

Smiles

C1[C@H](C[C@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@@]4(C)CC[C@H]3[C@@]2(C1)C)C(=O)O)O