Estrone 3-hemisuccinate

CAS

58534-72-8

Catalog Number

ACM58534728

Category

Steroidal Compounds

Molecular Weight

370.44

Molecular Formula

C₂₂H₂₆O₅

MSDS COA Spec Sheet

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Specification

Synonyms

ESTRONE HEMISUCCINATE;ESTRONE 3-HEMISUCCINATE;1,3,5(10)-ESTRATRIEN-17-ONE 3-HEMISUCCINATE;1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3-HEMISUCCINATE;1,3,5(10)-ESTRATRIEN-3-OL-17-ONE HEMISUCCINATE;3-HYDROXY-1,3,5(10)-ESTRATRIEN-17-ONE HEMISUCCINATE

IUPAC Name

4-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoicacid

Canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)CCC(=O)O

InChI Key

VSHNBNRUBKFQCR-QLDGJZPUSA-N

Exact Mass

370.17800

Hazard Statements

Safety Description

22-36

What is the molecular formula of estrone 3-hemisuccinate?

The molecular formula of estrone 3-hemisuccinate is C22H26O5.

What is the molecular weight of estrone 3-hemisuccinate?

The molecular weight of estrone 3-hemisuccinate is 370.4 g/mol.

What are some synonyms for estrone 3-hemisuccinate?

Some synonyms for estrone 3-hemisuccinate include 1,3,5(10)-Estratrien-3-ol-17-one hemisuccinate and ST056227.

What is the IUPAC name of estrone 3-hemisuccinate?

The IUPAC name of estrone 3-hemisuccinate is 4-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.

What is the InChIKey of estrone 3-hemisuccinate?

The InChIKey of estrone 3-hemisuccinate is VSHNBNRUBKFQCR-QLDGJZPUSA-N.

How many hydrogen bond donor counts does estrone 3-hemisuccinate have?

Estrone 3-hemisuccinate has 1 hydrogen bond donor count.

What is the topological polar surface area of estrone 3-hemisuccinate?

The topological polar surface area of estrone 3-hemisuccinate is 80.7 Å².

How many defined atom stereocenter counts does estrone 3-hemisuccinate have?

Estrone 3-hemissucinate has 4 defined atom stereocenter counts.

What is the CAS number of estrone 3-hemisuccinate?

The CAS number of estrone 3-hemisuccinate is 58534-72-8.

When was estrone 3-hemisuccinate created and last modified?

Estrone 3-hemisuccinate was created on November 9, 2006, and last modified on November 25, 2023.