Deoxyecdysone

CAS Registry Number®

31575-91-4
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CAS Name

Deoxyecdysone

Molecular Formula

C27H44O5

Molecular Mass

448.64

Cite this Page

Deoxyecdysone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31575-91-4 (retrieved 2024-05-20) (CAS RN: 31575-91-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-236 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C27H44O5/c1-16(22(29)9-10-24(2,3)31)18-8-13-27(32)20-15-23(30)21-14-17(28)6-11-25(21,4)19(20)7-12-26(18,27)5/h15-19,21-22,28-29,31-32H,6-14H2,1-5H3/t16-,17-,18+,19-,21-,22+,25+,26+,27+/m0/s1

InChIKey

InChIKey=CRAPXAGGASWTPU-VQOIUDCISA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)CC4)[H])(CC[C@]1(C)[C@@]([C@@H]([C@@H](CCC(C)(C)O)O)C)(CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholest-7-en-6-one, 3,14,22,25-tetrahydroxy-, (3β,5β,22R)-
  • 5β-Cholest-7-en-6-one, 3β,14,22,25-tetrahydroxy-, (20S,22R)-
  • (3β,5β,22R)-3,14,22,25-Tetrahydroxycholest-7-en-6-one
  • Deoxyecdysone
  • 2-Deoxy-α-ecdysone

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