20-Hydroxyecdysone

CAS Registry Number®

5289-74-7
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CAS Name

20-Hydroxyecdysone

Molecular Formula

C27H44O7

Molecular Mass

480.63

Cite this Page

20-Hydroxyecdysone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5289-74-7 (retrieved 2024-05-20) (CAS RN: 5289-74-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1

InChIKey

InChIKey=NKDFYOWSKOHCCO-YPVLXUMRSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@]([C@@]([C@@H](CCC(C)(C)O)O)(C)O)(CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CCC(O)(C)C)C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Cholest-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,20,22,25-hexahydroxy-, (22R)-
  • 5β-Cholest-7-en-6-one, 2β,3β,14,20,22β,25-hexahydroxy-
  • (2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one
  • Ecdysterone

Deleted or Replaced CAS Registry Numbers

138673-65-1, 11006-05-6, 11036-20-7, 15266-33-8, 15971-08-1, 31575-90-3

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