(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

Compound number:
MolPort-003-845-025
CAS number: 2152-44-5; 378-44-9
IUPAC:
(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
IUPAC traditional:
betamethasone
SMILES:
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |r,c:11,t:7|
InChI key:
UREBDLICKHMUKA-DVTGEIKXSA-N
Molecular formula:
C22H29FO5
Molecular weight: 392.467
Sample Reformatting

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Catalog: Building blocks Ships out: 10 business days Purity: 99%
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Catalog: Building blocks Ships out: 10 business days Purity: 98%
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2 g October 2, 2019 204.00 USD
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Catalog: Made to order Ships out: 30 business days Purity: 95%
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More Information

Compound Identifiers
Compound number: MolPort-003-845-025
CAS number: 2152-44-5; 378-44-9

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00062929
MFCD00062969
MFCD00867446
(1R,2S,10S,11S,13S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one
9a-Fluoro-11b,17a,21-trihydroxy-16b-methylpregna-1,4-diene-3,20-dione
9alpha-Fluoro-11beta,17alpha,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 9alpha-Fluoro-16beta-methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 9alpha-Fluoro-16beta-methylprednisolone
"9α-Fluoro-11β,17α,21-trihydroxy-16β-methyl-1,4-pregnadiene-3,20-dione"
9-fluoro-11?,17,21-trihydroxy-16?-methyl-pregna-1,4-diene-3,20-dione
Betadexamethasone, Flubenisolone, Sch-483, NCS-39470
betamethasone
Betamethasone 17-valerate
Betamethasone (Celestone)
Betamethasone valerate
Betamethasone(Celestone)
Celestone, Betadexamethasone, Flubenisolone
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-,(11b,16b)-

InChI
InChI: 1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1
InChI key: UREBDLICKHMUKA-DVTGEIKXSA-N

Calculated Properties
Molecular formula: C22H29FO5
Molecular weight: 392.467

Other

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2019 MolPort, v3.16, release date 11-09-2019 16:00 (+0200). All rights reserved.
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