Cholesterol hydrogen phthalate

CAS

6732-01-0

Catalog Number

ACM6732010

Category

Steroidal Compounds

Molecular Weight

534.77

Molecular Formula

C₃₅H₅₀O₄

MSDS COA Spec Sheet

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Specification

Synonyms

NSC59691, EINECS 229-783-9, CID111235, Cholest-5-en-3beta-yl hydrogen phthalate, 6732-01-0

IUPAC Name

2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]benzoic acid

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5C(=O)O)C)C

InChI Key

DNRPYEJJPBQNQB-MMFRCHASSA-N

Boiling Point

631.8ºC at 760 mmHg

Melting Point

163ºC

Flash Point

191.8ºC

Density

1.11g/cm³

EC Number

229-783-9

Exact Mass

534.37100

H-Bond Acceptor

H-Bond Donor

What is the PubChem CID of Cholesterol hydrogen phthalate?

The PubChem CID of Cholesterol hydrogen phthalate is 111235.

What is the molecular formula of Cholesterol hydrogen phthalate?

The molecular formula of Cholesterol hydrogen phthalate is C35H50O4.

What are some synonyms for Cholesterol hydrogen phthalate?

Some synonyms for Cholesterol hydrogen phthalate include Cholest-5-en-3beta-yl hydrogen phthalate and CHOLESTERYL HYDROGEN PHTHALATE.

What is the molecular weight of Cholesterol hydrogen phthalate?

The molecular weight of Cholesterol hydrogen phthalate is 534.8 g/mol.

When was Cholesterol hydrogen phthalate created?

Cholesterol hydrogen phthalate was created on March 26, 2005.

What is the IUPAC name of Cholesterol hydrogen phthalate?

The IUPAC name of Cholesterol hydrogen phthalate is 2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]benzoic acid.

What is the InChIKey of Cholesterol hydrogen phthalate?

The InChIKey of Cholesterol hydrogen phthalate is DNRPYEJJPBQNQB-MMFRCHASSA-N.

What is the canonical SMILES of Cholesterol hydrogen phthalate?

The canonical SMILES of Cholesterol hydrogen phthalate is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5C(=O)O)C)C.

What is the CAS number of Cholesterol hydrogen phthalate?

The CAS number of Cholesterol hydrogen phthalate is 6732-01-0.

What is the XLogP3-AA value of Cholesterol hydrogen phthalate?

The XLogP3-AA value of Cholesterol hydrogen phthalate is 10.3.