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Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol

17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol synonyms

Mestranol

Wikipedia:

Graphical representations:

17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol image

Molecular Formula: C21H26O2

Natural Isotopic Abundance Mass: 310.42994

Mono-Isotopic Molecular Masses:

  • C12N14: 310.193280072001
  • C13N14: 331.263731670001
  • C12N15: 310.193280072001
  • C13N15: 331.263731670001

InCHi String: InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   6291
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_04577

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.