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Substance Name: 5alpha-Hydroxyecdysone 3-beta-D-glucoside
RN: 109771-10-0
InChIKey: AYZWKPWGZYTYNN-LJLCCJFDSA-N

Molecular Formula

  • C33-H54-O13

Molecular Weight

  • 658.7766
 
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Names and Synonyms

Results Name

  • 5alpha-Hydroxyecdysone 3-beta-D-glucoside

Synonym

  • 5alpha-Hydroxyecdysone 3-beta-D-glucoside

Systematic Name

  • Cholest-7-en-6-one, 3-(beta-D-glucopyranosyloxy)-2,5,14,20,22,25- hexahydroxy-, (2beta,3beta,5alpha,22R)-

Registry Numbers

CAS Registry Number

  • 109771-10-0

Other Registry Number

  • 109771-11-1

System Generated Number

  • 0109771100

Structure Descriptors

InChI

1S/C33H54O13/c1-28(2,41)9-8-22(36)31(5,42)21-7-11-32(43)17-12-23(37)33(44)14-19(45-27-26(40)25(39)24(38)20(15-34)46-27)18(35)13-30(33,4)16(17)6-10-29(21,32)3/h12,16,18-22,24-27,34-36,38-44H,6-11,13-15H2,1-5H3/t16-,18-,19+,20+,21-,22+,24+,25-,26+,27+,29+,30+,31+,32+,33+/m0/s1

InChIKey

AYZWKPWGZYTYNN-LJLCCJFDSA-N

Smiles

C[C@]12CC[C@H]3C(=CC(=O)[C@]4([C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)O)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O