11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione 3-[o-carboxymethyl]oxime

CAS

43188-86-9

Catalog Number

ACM43188869

Category

Steroidal Compounds

Molecular Weight

435.51

Molecular Formula

C₂₃H₃₃NO₇

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

Cortisol 3-(O-carboxymethyl)oxime, Hydrocortisone 3-(O-carboxymethyl)oxime, H6635_SIGMA, 11|A,17|A,21-Trihydroxy-4-pregnene-3,20-dione 3-(O-carboxymethyl)oxime, 4-Pregnene-11|A,17|A,21-triol-3,20-dione 3-(O-carboxymethyl)oxime, 4-Pregnene-11beta,17alpha,21-triol-3,20-dione 3-(O-carboxymethyl)oxime, 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione 3-(O-carboxymethyl)oxime, 43188-86-9

IUPAC Name

2-[(E)-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid

Canonical SMILES

CC12CCC(=NOCC(=O)O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O

InChI Key

WXAWNCDYPXVODT-ZAKIEOBNSA-N

Exact Mass

435.22600

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36

What is the molecular formula of 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione 3-[o-carboxymethyl]oxime?

The molecular formula is C23H33NO7.

What is the molecular weight of the compound?

The molecular weight is 435.5 g/mol.

What is the CAS number of the compound?

The CAS number is 43188-86-9.

What is the IUPAC name of the compound?

The IUPAC name is 2-[(E)-[11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid.

What is the InChIKey of the compound?

The InChIKey is WXAWNCDYPXVODT-ZVHZXABRSA-N.

What is the XLogP3 value of the compound?

The XLogP3 value is 1.8.

How many hydrogen bond donor atoms does the compound have?

The compound has 4 hydrogen bond donor atoms.

How many hydrogen bond acceptor atoms does the compound have?

The compound has 8 hydrogen bond acceptor atoms.

How many rotatable bonds does the compound have?

The compound has 5 rotatable bonds.

What is the topological polar surface area (TPSA) of the compound?

The topological polar surface area (TPSA) is 137Å².