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Substance Name: Ergostine
RN: 2854-38-8
UNII: 8RM45QOC5P
InChIKey: BOLCFGMGGWCOOE-CTTKVJGISA-N

Note

  • Ergostinine is (5'alpha,8alpha)-isomer.

Molecular Formula

  • C34-H37-N5-O5

Molecular Weight

  • 595.6963
 
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Names and Synonyms

Name of Substance

  • Ergostine

Synonym

  • UNII-8RM45QOC5P

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 2854-38-8

FDA UNII

  • 8RM45QOC5P

System Generated Number

  • 0002854388

Structure Descriptors

InChI

1S/C34H37N5O5/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/h4-7,9-12,16,18,22,26-28,35,43H,3,8,13-15,17,19H2,1-2H3,(H,36,40)/t22-,26-,27+,28+,33-,34+/m1/s1

InChIKey

BOLCFGMGGWCOOE-CTTKVJGISA-N

Smiles

C1=C2c3cccc4[nH]cc(c34)C[C@H]2[N@@](C)C[C@@H]1C(N[C@]1(C(N2[C@@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)Cc1ccccc1)=O)CC)=O