3,5-Cholestadiene

CAS

747-90-0

Catalog Number

ACM747900

Category

Steroidal Compounds

Molecular Weight

368.44

Molecular Formula

C₂₇H₄₄

MSDS COA Spec Sheet

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Specification

Synonyms

cholest-3,5-diene; Cholesta-3,5-dien; EINECS 212-021-4; Cholestadien-(3.5); Cholesterylene; cholesta-3,5-diene; Cholesterilene;

IUPAC Name

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

Canonical SMILES

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

InChI Key

RLHIRZFWJBOHHD-HKQCOZBKSA-N

Boiling Point

458ºC at 760 mmHg

Melting Point

78-80ºC(lit.)

Flash Point

225.2ºC

Density

0.95g/cm³

EC Number

212-021-4

Exact Mass

368.34400

Hazard Statements

Safety Description

What is the molecular formula of 3,5-Cholestadiene?

The molecular formula of 3,5-Cholestadiene is C27H44.

What is the molecular weight of 3,5-Cholestadiene?

The molecular weight of 3,5-Cholestadiene is 368.6 g/mol.

What is the IUPAC name of 3,5-Cholestadiene?

The IUPAC name of 3,5-Cholestadiene is (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene.

What is the InChI of 3,5-Cholestadiene?

The InChI of 3,5-Cholestadiene is InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1.

What are the other identifiers of 3,5-Cholestadiene?

The other identifiers of 3,5-Cholestadiene are CAS: 747-90-0, European Community (EC) Number: 212-021-4, DSSTox Substance ID: DTXSID60870761, Metabolomics Workbench ID: 93707, Nikkaji Number: J46.060E, and NSC Number: 5193.

What is the XLogP3-AA value of 3,5-Cholestadiene?

The XLogP3-AA value of 3,5-Cholestadiene is 9.8.

How many hydrogen bond donor counts does 3,5-Cholestadiene have?

3,5-Cholestadiene has 0 hydrogen bond donor counts.

How many rotatable bond counts does 3,5-Cholestadiene have?

3,5-Cholestadiene has 5 rotatable bond counts.

What is the exact mass of 3,5-Cholestadiene?

The exact mass of 3,5-Cholestadiene is 368.344301404 g/mol.

How many defined atom stereocenter counts does 3,5-Cholestadiene have?

3,5-Cholestadiene has 7 defined atom stereocenter counts.