Iristectorene B

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For Research Use Only.

Category

Triterpenoids

Cat.No.

NP7125

CAS

156791-81-0

Product Name

Iristectorene B

Structure

Product Details

Description

Iristectorene B is a natural compound isolated from the seeds of Iris tectorum.

Synonyms

Iristectorene B; 156791-81-0; 3-[(1R,2S,3S,6Z)-3-hydroxy-2-[(3E,5R,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl tetradecanoate; CHEMBL445222; AKOS040761865

IUPAC Name

3-[(1R,2S,3S,6Z)-3-hydroxy-2-[(3E,5R,7E)-5-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,3-dimethyl-6-(1-oxopropan-2-ylidene)cyclohexyl]propyl tetradecanoate

Molecular Weight

685.087

Molecular Formula

C44H76O5

Canonical SMILES

CCCCCCCCCCCCCC(=O)OCCCC1C(=C(C)C=O)CCC(C1(C)CCC=C(C)C(CC=C(C)CCC=C(C)C)O)(C)O

InChI

InChI=1S/C44H76O5/c1-9-10-11-12-13-14-15-16-17-18-19-27-42(47)49-33-22-26-40-39(38(6)34-45)30-32-44(8,48)43(40,7)31-21-25-37(5)41(46)29-28-36(4)24-20-23-35(2)3/h23,25,28,34,40-41,46,48H,9-22,24,26-27,29-33H2,1-8H3/b36-28+,37-25+,39-38-/t40-,41-,43+,44+/m1/s1

InChIKey

UHFDAENQNSFKSB-UAOBIYCZSA-N

Purity

97.0%

Appearance

Oil

Form

Oil

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