Stigmasta-5,22,25-trien-3-ol,acetate, (3b,22E,24S)- (9CI)

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For Research Use Only.

Category

Steroids

Cat.No.

NP6048

CAS

28594-00-5

Product Name

Stigmasta-5,22,25-trien-3-ol,acetate, (3b,22E,24S)- (9CI)

Structure

Product Details

Description

22-Dehydroclerosteryl acetate can be found in the leaves of Clerodendrum campbellii.

Synonyms

(24S)-Ethylcholesta-5,22,25-trien-3beta-yl acetate

IUPAC Name

[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Molecular Weight

452.7

Molecular Formula

C31H48O2

Canonical SMILES

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

InChI

InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1

Boiling Point

517.4±29.0 °C(Predicted)

Purity

>98%

Density

1.00±0.1 g/cm3(Predicted)

Appearance

Powder

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