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Substance Name: 22,25-Deoxy-alpha-ecdysone
RN: 7698-69-3
InChIKey: QPGHAYOKHPQLQO-DXCOFLLLSA-N

Molecular Formula

  • C27-H44-O4

Molecular Weight

  • 432.6406
 
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Names and Synonyms

Results Name

  • 22,25-Deoxy-alpha-ecdysone

Synonyms

  • (2beta,3beta,5beta)-2,3,14-Trihydroxycholest-7-en-6-one
  • 22,25-Deoxy-alpha-ecdysone

Systematic Name

  • Cholest-7-en-6-one, 2,3,14-trihydroxy-, (2beta,3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 7698-69-3

System Generated Number

  • 0007698693

Structure Descriptors

InChI

1S/C27H44O4/c1-16(2)7-6-8-17(3)18-10-12-27(31)20-13-22(28)21-14-23(29)24(30)15-25(21,4)19(20)9-11-26(18,27)5/h13,16-19,21,23-24,29-31H,6-12,14-15H2,1-5H3/t17-,18-,19+,21+,23-,24+,25-,26-,27-/m1/s1

InChIKey

QPGHAYOKHPQLQO-DXCOFLLLSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O