Cholesterol formate

CAS

4351-55-7

Catalog Number

ACM4351557

Category

Steroidal Compounds

Molecular Weight

414.66

Molecular Formula

C₂₈H₄₆O₂

MSDS COA Spec Sheet

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Specification

Synonyms

CHOLESTEROL FORMATE; 5-CHOLESTEN-3BETA-OL 3-FORMATE; Cholest-5-en-3beta-yl formate; Cholest-5-en-3-ol (3beta)-,formate; Cholesterol Formate; FORMIC ACID CHOLESTEROL ESTER; Cholest-5-en-3-yl formate;

IUPAC Name

[(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]formate

Canonical SMILES

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

InChI Key

YEYCQJVCAMFWCO-PXBBAZSNSA-N

Boiling Point

487.1ºC at 760mmHg

Melting Point

95ºC

Flash Point

206.2ºC

Density

1g/cm³

EC Number

224-416-9

Exact Mass

414.35000

Hazard Statements

Safety Description

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .

WGK Germany

What is the PubChem CID of Cholesterol Formate?

The PubChem CID of Cholesterol Formate is 165217.

What is the molecular formula of Cholesterol Formate?

The molecular formula of Cholesterol Formate is C28H46O2.

What is the molecular weight of Cholesterol Formate?

The molecular weight of Cholesterol Formate is 414.7 g/mol.

When was Cholesterol Formate created in PubChem?

Cholesterol Formate was created in PubChem on August 8, 2005.

When was Cholesterol Formate last modified in PubChem?

Cholesterol Formate was last modified in PubChem on November 25, 2023.

What is the IUPAC Name of Cholesterol Formate?

The IUPAC Name of Cholesterol Formate is [(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] formate.

What is the InChI of Cholesterol Formate?

The InChI of Cholesterol Formate is InChI=1S/C28H46O2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(30-18-29)13-15-27(21,4)26(23)14-16-28(24,25)5/h9,18-20,22-26H,6-8,10-17H2,1-5H3/t20-,22+,23,24-,25+,26+,27+,28-/m1/s1.

What is the InChIKey of Cholesterol Formate?

The InChIKey of Cholesterol Formate is YEYCQJVCAMFWCO-PXBBAZSNSA-N.

What is the canonical SMILES of Cholesterol Formate?

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

What is the CAS number of Cholesterol Formate?

The CAS number of Cholesterol Formate is 4351-55-7.