(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-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-003-844-701
CAS number: 4419-39-0
IUPAC:
(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-chloro-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:
beclomethasone
SMILES:
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |r,c:11,t:7|
InChI key:
NBMKJKDGKREAPL-DVTGEIKXSA-N
Molecular formula:
C22H29ClO5
Molecular weight: 408.92
Solubility: not available
Sample Reformatting

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Catalog: Building blocks Ships out: 10 business days Purity: 95
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Catalog: Building blocks Ships out: 10 business days Purity: 98%
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More Information

Compound Identifiers
Compound number: MolPort-003-844-701
CAS number: 4419-39-0

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00135614
9-alpha-Chloro-6-beta-methylprednisolone
"9α-Chloro-11β,17α,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 9α-Chloro-16β-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione"
beclometasone
Beclomethasone
Beclomethasone Solution

InChI
InChI: 1S/C22H29ClO5/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: NBMKJKDGKREAPL-DVTGEIKXSA-N

Calculated Properties
Molecular formula: C22H29ClO5
Molecular weight: 408.92

Other

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2019 MolPort, v3.28, release date 17-11-2019 13:00 (+0200). All rights reserved.
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