Norgestrel

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Systematic / IUPAC Name: (10R,13S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one

ID: Reference2892

Other Names: D(-)-Norgestrel ;
Levonorgestrel;
(-)-Norgestrel

Formula: C21H28O2

Class: Therapeutics/Prescription Drugs

Spectral Data

Norgestrel mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/8/2015 10:16:57 AM
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Identificators

InChI InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17?,18?,19?,20-,21-/m0/s1
InChI Key WWYNJERNGUHSAO-RYHLCRTJSA-N
Canonical SMILES CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
CAS 797637
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Other Names D(-)-Norgestrel ;
Levonorgestrel;
(-)-Norgestrel

In Other Databases

ChEBI CHEBI:7630
Wikipedia Norgestrel; Levonorgestrel
ChemSpider 4642476
PubChem 5702096