Cholesteryl benzoate

CAS

604-32-0

Catalog Number

ACM604320

Category

Organic & Printed Electronics

Molecular Weight

490.76

Molecular Formula

C34H50O2

MSDS COA Spec Sheet

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

Specification

Synonyms

3-Hydroxycholest-5-ene3-benzoate

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] benzoate

Canonical SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m1/s1

InChI Key

UVZUFUGNHDDLRQ-LLHZKFLPSA-N

Boiling Point

545.16 ºC

Melting Point

148-150 ºC (lit.)

Flash Point

252.7ºC

Density

0.928 g/ml

Appearance

white powder

Exact Mass

490.38100

Safety Description

S22-S24/25

Stability

Stable under normal temperatures and pressures.

WGK Germany

What is the PubChem CID of cholesteryl benzoate?

The PubChem CID of cholesteryl benzoate is 2723613.

What is the molecular formula of cholesteryl benzoate?

The molecular formula of cholesteryl benzoate is C34H50O2.

What is the molecular weight of cholesteryl benzoate?

The molecular weight of cholesteryl benzoate is 490.8 g/mol.

What is the IUPAC name of cholesteryl benzoate?

The IUPAC name of cholesteryl benzoate 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] benzoate.

What is the InChI of cholesteryl benzoate?

The InChI of cholesteryl benzoate is InChI=1S/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3/t24-,27+,28+,29-,30+,31+,33+,34-/m1/s1.

What is the InChIKey of cholesteryl benzoate?

The InChIKey of cholesteryl benzoate is UVZUFUGNHDDLRQ-LLHZKFLPSA-N.

What is the canonical SMILES of cholesteryl benzoate?

The canonical SMILES of cholesteryl benzoate is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5)C)C.

What is the CAS number of cholesteryl benzoate?

The CAS number of cholesteryl benzoate is 604-32-0.

What is the UNII of cholesteryl benzoate?

The UNII of cholesteryl benzoate is N09H13SHLB.