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91097-16-4 Purity
96%
91097-16-4 Purity
96%
![2,5-Dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[3-[(phenylamino)sulphonyl]phenyl]azo]-1H-pyrazol-1-yl]benzenesulphonic acid](https://resource.alfa-chemistry.com/structure/91101-21-2.gif)
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17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate
CAS
910-99-6
Catalog Number
ACM910996
Category
Other Products
Molecular Weight
398.492000 [g/mol]
Molecular Formula
C24H30O5
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Specification
Synonyms
EINECS 213-007-0, CID101901, ZINC04080957, ZINC06066690, 17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate, 910-99-6
IUPAC Name
[2-[(8S,10S,13S,14S,16S,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)COC(=O)C)O)C)C
InChI Key
AAPZMQVULRVUEU-NZDAKWCRSA-N
EC Number
213-007-0
Exact Mass
398.20900
H-Bond Acceptor
5
H-Bond Donor
1
What is the chemical name of the keyword?
The chemical name of the keyword is 17,21-Dihydroxy-16beta-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate.
What is the molecular formula of the keyword?
The molecular formula of the keyword is C24H30O5.
What is the molecular weight of the keyword?
The molecular weight of the keyword is 398.5 g/mol.
When was the keyword created in PubChem?
The keyword was created in PubChem on August 8, 2005.
How many hydrogen bond donor counts does the keyword have?
The keyword has 1 hydrogen bond donor count.
What is the topological polar surface area of the keyword?
The topological polar surface area of the keyword is 80.7 Ų.
How many defined atom stereocenter counts does the keyword have?
The keyword has 6 defined atom stereocenter counts.
What is the XLogP3-AA value of the keyword?
The XLogP3-AA value of the keyword is 2.7.
What is the Exact Mass of the keyword?
The Exact Mass of the keyword is 398.20932405 g/mol.
What is the Canonical SMILES of the keyword?
The Canonical SMILES of the keyword is CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)COC(=O)C)O)C)C.
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