Durantoside I

Inquiry

For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3785

CAS

53526-67-3

Product Name

Durantoside I

Structure

Product Details

Description

Durantoside I is a natural iIridoid found in the herbs of Duranta repens.

Synonyms

2-Methyl-5,7-dihydroindeno[2,1-b]fluorene

IUPAC Name

methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Molecular Weight

552.53

Molecular Formula

C26H32O13

Canonical SMILES

CC1(C(CC2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=CC4=CC=CC=C4)O

InChI

InChI=1S/C26H32O13/c1-25(33)16(38-17(28)9-8-13-6-4-3-5-7-13)10-26(34)14(22(32)35-2)12-36-24(21(25)26)39-23-20(31)19(30)18(29)15(11-27)37-23/h3-9,12,15-16,18-21,23-24,27,29-31,33-34H,10-11H2,1-2H3/b9-8+/t15-,16+,18-,19+,20-,21-,23+,24+,25+,26+/m1/s1

InChIKey

YRARGBWFOYODHQ-IQHUSNMXSA-N

Boiling Point

771.6±60.0°C (Predicted)

Purity

>95%

Density

1.53±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

11.20±0.70(Predicted)

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