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Structure

Betamethasone 21-(adamantane-1-carboxylate)

CAS
40242-27-1
Catalog Number
ACM40242271
Category
Other Products
Molecular Weight
554.69
Molecular Formula
C33H43FO6

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Specification

Synonyms
EINECS 254-855-1, CID3084773, 40242-27-1, 9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(tricyclo(3.3.1.13,7)dec-1-ylformate)
IUPAC Name
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] adamantane-1-carboxylate
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C56CC7CC(C5)CC(C7)C6)O)C)O)F)C
InChI Key
NNYUDLQXONVMAY-VDOFVVGCSA-N
EC Number
254-855-1
Exact Mass
554.30400
H-Bond Acceptor
7
H-Bond Donor
2
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