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Substance Name: Chenooxazoline
RN: 80724-93-2
InChIKey: WSLTVABVMRHQJH-YHVCFSJVSA-N

Molecular Weight

  • 445.683
 
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Names and Synonyms

Name of Substance

  • Chenooxazoline

Synonyms

  • 2-(3alpha,7beta-Dihydroxy-24-nor-5beta-cholanyl)-4,4-dimethyl-2-oxazoline
  • Ursodeoxyoxazoline

Systematic Name

  • 24-Norcholane-3,7-diol, 23-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-, (3alpha,5beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 80724-93-2

System Generated Number

  • 0080724932

Structure Descriptors

InChI

1S/C28H47NO3/c1-7-17(2)19-8-9-20-23-21(10-11-27(19,20)6)26(5)12-13-28(31,15-18(26)14-22(23)30)24-29-25(3,4)16-32-24/h17-23,30-31H,7-16H2,1-6H3/t17-,18-,19-,20?,21?,22+,23?,26+,27-,28-/m1/s1

InChIKey

WSLTVABVMRHQJH-YHVCFSJVSA-N

Smiles

O1C(=NC(C1)(C)C)[C@]1(CC[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3[C@H](C[C@H]2C1)O)[C@@H](CC)C)C)C)O