3-Dehydroecdysone

CAS Registry Number®

39750-00-0
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CAS Name

3-Dehydroecdysone

Molecular Formula

C27H42O6

Molecular Mass

462.62

Cite this Page

3-Dehydroecdysone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39750-00-0 (retrieved 2024-09-19) (CAS RN: 39750-00-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,23-,25+,26+,27+/m0/s1

InChIKey

InChIKey=GDSSFVCRVUQMRG-OSCDMYCUSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(CC(=O)[C@@H](O)C4)[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)CC(O)C(=O)CC14

Other Names for this Substance

  • Cholest-7-ene-3,6-dione, 2,14,22,25-tetrahydroxy-, (2β,5β,22R)-
  • (2β,5β,22R)-2,14,22,25-Tetrahydroxycholest-7-ene-3,6-dione
  • 3-Dehydroecdysone
  • 3-Dehydro-α-ecdysone