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Substance Name: Neoergosterol
RN: 516-98-3
UNII: ZPU0VBW70R
InChIKey: MNMJPUHGVUDRCV-DOOCTISASA-N

Molecular Formula

  • C27-H40-O

Molecular Weight

  • 380.612
 
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Names and Synonyms

Name of Substance

  • Neoergosterol

Synonyms

  • (3beta,22E)-19-Norergosta-5,7,9,22-tetraen-3-ol
  • 19-Norergosta-5,7,9,22-tetraen-3-ol, (3beta,22E)-
  • Neoergosterin
  • Neoergosterol
  • Neoergosterol [MI]
  • UNII-ZPU0VBW70R

Registry Numbers

CAS Registry Number

  • 516-98-3

FDA UNII

  • ZPU0VBW70R

System Generated Number

  • 0000516983

Structure Descriptors

InChI

1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h6-8,10,17-19,21,25-26,28H,9,11-16H2,1-5H3/b7-6+/t18-,19+,21-,25+,26-,27+/m0/s1

InChIKey

MNMJPUHGVUDRCV-DOOCTISASA-N

Smiles

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCc3c2ccc4c3CC[C@@H](C4)O)C