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Substance Name: 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one
RN: 39219-57-3
InChIKey: FADCOUQPHXGWQS-VKUUYIRESA-N

Note

  • Ecdysone precursor.

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.6416
 
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Names and Synonyms

Name of Substance

  • 3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-one

Synonyms

  • 2,22,25-Trideoxyecdysone
  • 5beta-Ketodiol (ecdysone)

Systematic Name

  • Cholest-7-en-6-one, 3,14-dihydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 39219-57-3

System Generated Number

  • 0039219573

Structure Descriptors

InChI

1S/C27H44O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27?/m1/s1

InChIKey

FADCOUQPHXGWQS-VKUUYIRESA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O