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Substance Name: Laurencin
RN: 3442-58-8
InChIKey: ZFYWONYUPVGTQJ-GDHVPRBFSA-N

Note

  • Extract of sea hare, Aplysia dactylomela.

Molecular Formula

  • C17-H23-Br-O3

Molecular Weight

  • 355.27
 
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Names and Synonyms

Name of Substance

  • Laurencin

Synonyms

  • 7-Bromo-8-ethyl-3,6,7,8-tetrahydro-alpha-2-penten-4-ynyl-2H-oxocin-2-methanol acetate
  • Laurencin
  • NSC 122763

Systematic Names

  • 2H-Oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-alpha-2-penten-4-ynyl-, acetate, (2R-(2alpha(R*(E)),7beta,8alpha))- (9CI)
  • 2H-Oxocin-2-methanol, 7-bromo-8-ethyl-3,6,7,8-tetrahydro-alpha-2-penten-4-ynyl-, acetate, (E)-(alphaR,2R,7S,8R)- (8CI)

Registry Numbers

CAS Registry Number

  • 3442-58-8

System Generated Number

  • 0003442588

Structure Descriptors

InChI

1S/C17H23BrO3/c1-4-6-7-11-16(20-13(3)19)17-12-9-8-10-14(18)15(5-2)21-17/h1,6-9,14-17H,5,10-12H2,2-3H3/b7-6+,9-8-/t14-,15+,16+,17+/m0/s1

InChIKey

ZFYWONYUPVGTQJ-GDHVPRBFSA-N

Smiles

O1[C@@H]([C@H](OC(=O)C)C\C=C\C#C)CC=CC[C@@H]([C@H]1CC)Br