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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50900 - dexonorgestrel
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ChEBI Ontology
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ChEBI Name
dexonorgestrel
ChEBI ID
CHEBI:50900
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H28O2
Net Charge
0
Average Mass
312.44582
Monoisotopic Mass
312.20893
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-
/m1/s1
InChIKey
WWYNJERNGUHSAO-XHCJJCCMSA-N
SMILES
[H][C@@]12CCC(=O)C=C1CC[C@@]1([H])[C@@]2([H])CC[C@]2(CC)[C@]1([H])CC[C@]2(O)C#C
ChEBI Ontology
Outgoing
dexonorgestrel (
CHEBI:50900
)
has functional parent
norgestrel (
CHEBI:7630
)
dexonorgestrel (
CHEBI:50900
)
is a
17α-hydroxy steroid (
CHEBI:35342
)
dexonorgestrel (
CHEBI:50900
)
is a
terminal acetylenic compound (
CHEBI:73477
)
dexonorgestrel (
CHEBI:50900
)
is enantiomer of
levonorgestrel (
CHEBI:6443
)
Incoming
levonorgestrel (
CHEBI:6443
)
is enantiomer of
dexonorgestrel (
CHEBI:50900
)
IUPAC Name
(8α,9β,10α,13α,14β)-
17α-
ethynyl-
17β-
hydroxy-
18a-
homoestr-
4-
en-
3-
one
Synonyms
Sources
(+)-Norgestrel
ChemIDplus
L
-Norgestrel
ChemIDplus
Registry Number
Type
Source
797-64-8
CAS Registry Number
ChemIDplus
Last Modified
02 May 2013