(1R,9aR,11aS)-11a-ethyl-1-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Compound number:
MolPort-003-666-244
CAS number: 6533-00-2
IUPAC:
(1R,9aR,11aS)-11a-ethyl-1-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC traditional:
(1R,9aR,11aS)-11a-ethyl-1-ethynyl-1-hydroxy-2H,3H,3aH,3bH,4H,5H,8H,9H,9aH,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
SMILES:
CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C |r,t:9|
InChI key:
WWYNJERNGUHSAO-RYHLCRTJSA-N
Molecular formula:
C21H28O2
Molecular weight: 312.453

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S&H to USA: 130.00 USD
S&H to World: 130.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 10 business days Purity: To Be analyzed
Last updated: this week In warehouse: 50.00 mg
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1 mg September 5, 2019 30.22 USD
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2 mg September 5, 2019 33.07 USD
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3 mg September 5, 2019 38.77 USD
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S&H to USA: 17.00 USD
S&H to World: 120.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 2 business days Purity: 98% (GC)
Last updated: this month In warehouse: 89.45 g
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100 mg August 26, 2019 19.00 USD
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500 mg August 26, 2019 86.00 USD
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1 g August 26, 2019 152.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-003-666-244
CAS number: 6533-00-2

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000022065395
ZINC000022065398
ZINC000022065401
ZINC000253498282
MFCD01546387
(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 (non-preferred name)
Norgestrel

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

Calculated Properties
Molecular formula: C21H28O2
Molecular weight: 312.453

Other

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2019 MolPort, v3.09, release date 20-08-2019 16:00 (+0200). All rights reserved.
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