11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione

CAS

94134-96-0

Catalog Number

ACM94134960

Category

Other Products

Molecular Weight

610.264260 [g/mol]

Molecular Formula

C₂₂H₂₈I₂O₄

MSDS COA Spec Sheet

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Specification

Synonyms

EINECS 302-866-8, CID10121665, CID 10121665, 11beta,17-Dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione, 94134-96-0

IUPAC Name

(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2,2-diiodoacetyl)-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Canonical SMILES

CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)C(I)I)O

InChI Key

HXECQENBKBNQCQ-XLECKLAMSA-N

EC Number

302-866-8

Exact Mass

610.00800

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

The molecular formula is C22H28I2O4.

What is the molecular weight of 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

The molecular weight is 610.3 g/mol.

What are some synonyms for 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

Some synonyms include FFI321BT3P and EINECS 302-866-8.

When was 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione first created in the database?

It was first created in the database on October 25, 2006.

What is the IUPAC name of 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

The IUPAC name is (6S,8S,9S,10R,11S,13S,14S,17R)-17-(2,2-diiodoacetyl)-11,17-dihydroxy-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.

What is the InChIKey of 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

The InChIKey is HXECQENBKBNQCQ-XLECKLAMSA-N.

What is the Canonical SMILES representation of 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

The Canonical SMILES representation is CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)C(I)I)O.

What is the XLogP3 value of 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

The XLogP3 value is 3.5.

How many hydrogen bond donor counts are there in 11Beta,17-dihydroxy-21,21-diiodo-6alpha-methylpregna-1,4-diene-3,20-dione?

There are 2 hydrogen bond donor counts.

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