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Substance Name: Esculentin steroid
RN: 131889-89-9
InChIKey: DPMVYTYRMGJDQQ-UHFFFAOYSA-N

Note

  • Do not confuse with esculentin (antimicrobial peptide).

Molecular Weight

  • 844.982
 
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Names and Synonyms

Name of Substance

  • Esculentin steroid

Systematic Name

  • Pregn-5-en-20-one, 3-((O-6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl)oxy)-8,11,12,14,17-pentahydroxy-, (3beta,11alpha,12beta,14beta,17alpha)-

Registry Numbers

CAS Registry Number

  • 131889-89-9

System Generated Number

  • 0131889899

Structure Descriptors

InChI

1S/C42H68O17/c1-19-29(44)34(53-9)30(45)37(56-19)59-33-21(3)55-28(16-26(33)52-8)58-32-20(2)54-27(15-25(32)51-7)57-24-11-12-38(5)23(14-24)10-13-41(49)35(38)31(46)36(47)39(6)17-40(48,22(4)43)18-42(39,41)50/h10,19-21,24-37,44-50H,11-18H2,1-9H3

InChIKey

DPMVYTYRMGJDQQ-UHFFFAOYSA-N

Smiles

CO[C@@H]1[C@@H](O[C@@H]2C[C@@H]([C@@H]([C@@H](O2)C)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)OC)O)OC)[C@@H](C)O[C@@H](O[C@@H]2CC[C@@]3([C@@H]4[C@@H](O)[C@@H](O)[C@@]5([C@@](C[C@@](C5)(O)C(C)=O)(O)[C@@]4(CC=C3C2)O)C)C)C1