Jatamanvaltrate B

Inquiry

For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3796

CAS

1134138-66-1

Product Name

Jatamanvaltrate B

Structure

Product Details

Description

Jatamanvaltrate B is a natural iridoid compound found in several plants.

Synonyms

((1S,4aR,6S,7R,7aS)-6-acetoxy-4a,7-dihydroxy-1-((3-methylbutanoyl)oxy)-7-(((3-methylbutanoyl)oxy)methyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl)methyl 3-methyl-2-((3-methylbutanoyl)oxy)butanoate

IUPAC Name

[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a,7-dihydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methyl-2-(3-methylbutanoyloxy)butanoate

Molecular Weight

642.732

Molecular Formula

C32H50O13

Canonical SMILES

CC(C)CC(=O)OCC1(C(CC2(C1C(OC=C2COC(=O)C(C(C)C)OC(=O)CC(C)C)OC(=O)CC(C)C)O)OC(=O)C)O

InChI

InChI=1S/C32H50O13/c1-17(2)10-24(34)42-16-32(39)23(43-21(9)33)13-31(38)22(15-41-30(28(31)32)45-26(36)12-19(5)6)14-40-29(37)27(20(7)8)44-25(35)11-18(3)4/h15,17-20,23,27-28,30,38-39H,10-14,16H2,1-9H3/t23-,27?,28-,30-,31-,32+/m0/s1

InChIKey

ZWCCPUWSKJGJNH-ZTJXRXMQSA-N

Boiling Point

692.3±55.0°C (Predicted)

Purity

>95%

Density

1.2±0.1 g/cm3

Appearance

Oil

pKa

11.11±0.70(Predicted)

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