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Norgestimate-N-acetate-2,2,4,6,6,10-D6

Catalog Number
ALP1615

Product Name
Norgestimate-N-acetate-2,2,4,6,6,10-D6

Structure

CAS Number
1263195-02-3

IUPAC Name
[(8R,9S,10R,13S,14S,17R)-3-acetyloxyimino-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Synonyms
Norgestimate-3-acetate-2,2,4,6,6,10-D6,Norgestimate-3-acetate-D6

Molecular Formula
C25H27NO4D6

Molecular Weight
417.58

Purity
98%

SMILES
[2H]C1=C2[C@](CC(C1=NOC(=O)C)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)OC(=O)C)CC)[2H]

InChI
InChI=1S/C25H33NO4/c1-5-24-13-11-21-20-10-8-19(26-30-17(4)28)15-18(20)7-9-22(21)23(24)12-14-25(24,6-2)29-16(3)27/h2,15,20-23H,5,7-14H2,1,3-4H3/t20-,21+,22+,23-,24-,25-/m0/s1/i7D2,8D2,15D,20D

InChI Key
JWLHCJCKDYVRNJ-SPCVQPNWSA-N

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