Protoplumericin A

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For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3813

CAS

80396-57-2

Product Name

Protoplumericin A

Structure

Product Details

Description

Protoplumericin A is a natural iridoids found in the herbs of Plumeria rubra L. cv. Acutifolia.

Synonyms

Protoplumericin

IUPAC Name

methyl (1S,4aS,7R,7aS)-5'-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4'-[(1S)-1-[(E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxyethyl]spiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

Molecular Weight

778.72

Molecular Formula

C36H42O19

Canonical SMILES

CC(C1=CC2(C=CC3C2C(OC=C3C(=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC1=O)OC(=O)C=CC5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O

InChI

InChI=1S/C36H42O19/c1-15(50-23(39)8-5-16-3-6-17(7-4-16)51-34-29(44)27(42)25(40)21(12-37)52-34)19-11-36(55-32(19)47)10-9-18-20(31(46)48-2)14-49-33(24(18)36)54-35-30(45)28(43)26(41)22(13-38)53-35/h3-11,14-15,18,21-22,24-30,33-35,37-38,40-45H,12-13H2,1-2H3/b8-5+/t15-,18+,21?,22?,24+,25?,26?,27?,28?,29?,30?,33-,34?,35?,36+/m0/s1

InChIKey

AFYIWKNGSIYXCQ-PYQCQGLYSA-N

Boiling Point

1040.3±65.0°C (Predicted)

Purity

>95%

Density

1.62±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

12.77±0.70(Predicted)

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