(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl acetate

Catalog Number

604-35-3

CAS

604-35-3

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] acetate

Synonyms

3β-Acetoxy-5-cholestene,3β-Hydroxy-5-cholestene 3-acetate,5-Cholesten-3β-ol 3-acetate

Molecular Weight

428.6902

Molecular Formula

C29H48O2

Product Information

Purity

97%

MDL

MFCD00003636

Appearance

Crystals

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Boiling Point

483.49 °C

Melting Point

111.5-115°C

Flash Point

248.8°C

Density

0.99 g/cm³

Optical Activity

[α]24/D −44°, c = 2 in chloroform

Refractive Index

1.515

Safety Information

WGK Germany

Canonical SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O

InChI

InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1

InChI Key

XUGISPSHIFXEHZ-VEVYEIKRSA-N