20-Hydroxyecdysone 2,3:20,22-diacetonide

CAS Registry Number®

22798-98-7
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CAS Name

20-Hydroxyecdysone 2,3:20,22-diacetonide

Molecular Formula

C33H52O7

Molecular Mass

560.76

Cite this Page

20-Hydroxyecdysone 2,3:20,22-diacetonide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22798-98-7 (retrieved 2024-05-01) (CAS RN: 22798-98-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    234 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30+,31+,32+,33+/m0/s1

InChIKey

InChIKey=WXFMGCVRGSIXOB-APTIWFLNSA-N

SMILES

O[C@]12[C@@](C)([C@](CC1)([C@]3(C)[C@@H](CCC(C)(C)O)OC(C)(C)O3)[H])CC[C@]4(C2=CC(=O)[C@]5([C@]4(C)C[C@]6([C@@](C5)(OC(C)(C)O6)[H])[H])[H])[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C4(OC(OC4CCC(O)(C)C)(C)C)C)C5(C)CC6OC(OC6CC15)(C)C

Other Names for this Substance

  • Cholest-7-en-6-one, 14,25-dihydroxy-2,3:20,22-bis[(1-methylethylidene)bis(oxy)]-, (2β,3β,5β,22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,20,22,25-hexahydroxy-, cyclic 2,3:20,22-diacetal with acetone, (22R)-
  • 5H-Cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxole, cholest-7-en-6-one deriv.
  • (2β,3β,5β,22R)-14,25-Dihydroxy-2,3:20,22-bis[(1-methylethylidene)bis(oxy)]cholest-7-en-6-one
  • 20-Hydroxyecdysone 2,3:20,22-diacetonide

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Deleted or Replaced CAS Registry Numbers

113900-74-6

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