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Substance Name: 3-Dehydroecdysone
RN: 39750-00-0
InChIKey: GDSSFVCRVUQMRG-LXTJYKKISA-N

Molecular Weight

  • 462.623
 
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Names and Synonyms

Name of Substance

  • 3-Dehydroecdysone

Systematic Name

  • Cholest-7-ene-3,6-dione, 2,14,22,25-tetrahydroxy-, (2beta,5beta,22R)-

Registry Numbers

CAS Registry Number

  • 39750-00-0

System Generated Number

  • 0039750000

Structure Descriptors

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

GDSSFVCRVUQMRG-LXTJYKKISA-N

Smiles

C1([C@H](C[C@@]2([C@H]3CC[C@@]4([C@@H]([C@@H]([C@@H](CCC(C)(C)O)O)C)CC[C@@]4(C3=CC([C@H]2C1)=O)O)C)C)O)=O