Cholest-5-en-3beta-yl propionate

CAS

633-31-8

Catalog Number

ACM633318

Category

Steroidal Compounds

Molecular Weight

442.72

Molecular Formula

C30H50O2

MSDS COA Spec Sheet

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

Specification

Synonyms

3β-propanoyloxycholest-5-ene

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] propanoate

Canonical SMILES

CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1

InChI Key

CCORPVHYPHHRKB-NXUCFJMCSA-N

Boiling Point

493.5 ºC

Melting Point

97-100 ºC

Flash Point

256.6ºC

Density

0.988 g/ml

Appearance

white to pale yellow waxy liquid

EC Number

211-191-7

Exact Mass

442.38100

Safety Description

S24/25

Stability

Stable under normal temperatures and pressures.

What is the molecular formula of Cholest-5-en-3beta-yl propionate?

The molecular formula is C30H50O2.

What are the synonyms for Cholest-5-en-3beta-yl propionate?

The synonyms are Cholesterol Propionate, Cholesteryl propionate, 633-31-8, Cholest-5-en-3-ol (3beta)-, 3-propanoate, Cholesterol, propionate.

What is the molecular weight of Cholest-5-en-3beta-yl propionate?

The molecular weight is 442.7 g/mol.

What is the IUPAC Name of Cholest-5-en-3beta-yl propionate?

The IUPAC Name 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] propanoate.

What is the InChI of Cholest-5-en-3beta-yl propionate?

The InChI is InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1.

What is the InChIKey of Cholest-5-en-3beta-yl propionate?

The InChIKey is CCORPVHYPHHRKB-NXUCFJMCSA-N.

What is the Canonical SMILES of Cholest-5-en-3beta-yl propionate?

The Canonical SMILES is CCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C.

What is the Isomeric SMILES of Cholest-5-en-3beta-yl propionate?

The Isomeric SMILES is CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C.

What is the CAS number of Cholest-5-en-3beta-yl propionate?

The CAS number is 633-31-8.