alpha-Spinasterol acetate

For Research Use Only.
Category
Steroids
Cat.No.
NP6212
CAS
4651-46-1
Product Name
alpha-Spinasterol acetate
Structure

Product Details

Description
alpha-Spinasterol acetate isolated from the herbs of Inula britannica L.
Synonyms
(3β,5α,22E)-Stigmasta-7,22-dien-3-yl acetate
IUPAC Name
[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Weight
454.7
Molecular Formula
C31H50O2
Canonical SMILES
CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)OC(=O)C)C)C)C(C)C
InChI
InChI=1S/C31H50O2/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/h9-10,12,20-21,23-25,27-29H,8,11,13-19H2,1-7H3/b10-9+/t21-,23-,24+,25+,27-,28+,29+,30+,31-/m1/s1
InChIKey
VQLULFBGTFJDEB-LSEHKVPYSA-N
Purity
> 95%
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