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Substance Name: 9,10-Dihydroergosine
RN: 7288-61-1
InChIKey: XWMMZDZUHSYSPU-ZADNKJPOSA-N

Note

  • Deriv of peptide ergot alkaloids.

Molecular Formula

  • C30-H39-N5-O5

Molecular Weight

  • 549.6681
 
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Names and Synonyms

Name of Substance

  • 9,10-Dihydroergosine

Synonyms

  • 9,10-Dihydroergosine methane sulfonate
  • DHESN

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 7288-61-1

System Generated Number

  • 0007288611

Structure Descriptors

InChI

1S/C30H39N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,14,16,18,20,22-24,31,39H,6,9-13,15H2,1-4H3,(H,32,36)/t18-,20-,22-,23+,24+,29-,30+/m1/s1

InChIKey

XWMMZDZUHSYSPU-ZADNKJPOSA-N

Smiles

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@@H]4C[C@@H]5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O