Chlorahololide D

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5716

CAS

943136-39-8

Product Name

Chlorahololide D

Structure

Product Details

Description

Chlorahololide D is a natural sesquiterpenoid found in the herbs of Chloranthus spicatus.

Synonyms

Chlorahololide D; 943136-39-8; CHEMBL2229596; SCHEMBL13935656; C38H44O11

IUPAC Name

[(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-5-(acetyloxymethyl)-9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-9-yl]methyl (E)-2-methylbut-2-enoate

Molecular Weight

676.8

Molecular Formula

C38H44O11

Canonical SMILES

CC=C(C)C(=O)OCC1(C2CC2C3(C1CC4=C(C(=O)OC45C3CC6=C7C5C(=C(C)C(=O)OC)C(=O)C(C7(C8C6C8)C)O)COC(=O)C)C)O

InChI

InChI=1S/C38H44O11/c1-8-15(2)32(42)48-14-37(45)24-11-23(24)35(5)25(37)12-22-20(13-47-17(4)39)34(44)49-38(22)26(35)10-19-18-9-21(18)36(6)28(19)29(38)27(30(40)31(36)41)16(3)33(43)46-7/h8,18,21,23-26,29,31,41,45H,9-14H2,1-7H3/b15-8+,27-16-/t18-,21-,23-,24+,25-,26+,29+,31+,35+,36+,37+,38+/m1/s1

Boiling Point

833.7±65.0 °C(Predicted)

Purity

>95%

Density

1.41±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

12.24±0.70(Predicted)

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