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Substance Name: Dihydroergostin
RN: 3609-19-6
InChIKey: DFWHWFLWRXBPGX-UHFAATNVSA-N

Molecular Weight

  • 597.712
 
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Names and Synonyms

Name of Substance

  • Dihydroergostin

Synonym

  • DE-145

Systematic Name

  • Ergotaman-3',6',18-trione, 2'-ethyl-9,10-dihydro-12'-hydroxy-5'-(phenylmethyl)-, (5'alpha,10alpha)-

Registry Numbers

CAS Registry Number

  • 3609-19-6

System Generated Number

  • 0003609196

Structure Descriptors

InChI

1S/C34H39N5O5/c1-3-33(36-30(40)22-16-24-23-11-7-12-25-29(23)21(18-35-25)17-26(24)37(2)19-22)32(42)39-27(15-20-9-5-4-6-10-20)31(41)38-14-8-13-28(38)34(39,43)44-33/h4-7,9-12,18,22,24,26-28,35,43H,3,8,13-17,19H2,1-2H3,(H,36,40)/t22-,24-,26-,27+,28+,33-,34+/m1/s1

InChIKey

DFWHWFLWRXBPGX-UHFAATNVSA-N

Smiles

C1N2C([C@@H](N3[C@@](O[C@@](NC([C@H]4C[N@@]([C@@H]5Cc6c7c(cccc7[C@@H]5C4)[nH]c6)C)=O)(CC)C3=O)([C@@H]2CC1)O)Cc1ccccc1)=O