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Substance Name: 2-Dehydroecdysone
RN: 113846-79-0
InChIKey: YFZGVPBGGOOZPB-SVINYHLRSA-N

Molecular Weight

  • 462.6228
 
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Names and Synonyms

Name of Substance

  • 2-Dehydroecdysone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 113846-79-0

System Generated Number

  • 0113846790

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/h12,15-17,19-20,22,28,30,32-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,25+,26+,27+/m0/s1

InChIKey

YFZGVPBGGOOZPB-SVINYHLRSA-N

Smiles

C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC(=O)[C@@H](C4)O)C)C)O)[C@@H](CCC(C)(C)O)O