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Substance Name: 3-Hydroxy-14,15-secoestra-1,3,5(10)-trien-15-yn-17-one
RN: 117144-19-1
InChIKey: PGUHDYUGHBUNJJ-UWLLGFRQSA-N

Molecular Formula

  • C18-H22-O2

Molecular Weight

  • 272.3478
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-14,15-secoestra-1,3,5(10)-trien-15-yn-17-one

Synonym

  • 14,15-Setyo

Systematic Name

  • 2-Phenanthrenemethanol, alpha-(ethynyl-13-C2)-1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-, (2S-(2alpha(S*),4aalpha,10abeta))-

Registry Numbers

CAS Registry Number

  • 117144-19-1

System Generated Number

  • 0117144191

Structure Descriptors

InChI

1S/C18H22O2/c1-3-17(20)18(2)9-8-16-13(11-18)5-4-12-10-14(19)6-7-15(12)16/h1,6-7,10,13,16-17,19-20H,4-5,8-9,11H2,2H3/t13-,16-,17-,18-/m0/s1/i1+1,3+1

InChIKey

PGUHDYUGHBUNJJ-UWLLGFRQSA-N

Smiles

C[C@@]1(CC[C@@H]2c3ccc(cc3CC[C@H]2C1)O)[C@H]([13C]#[13CH])O