Dammarenediol II 3-O-caffeate

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6461

CAS

171438-55-4

Product Name

Dammarenediol II 3-O-caffeate

Structure

Product Details

Description

Dammarenediol II 3-O-caffeate isolated from the herbs of Ostryopsis nobilis.

Synonyms

(3beta)-Dammar-24-ene-3,20-diol 3-[3-(3,4-dihydroxyphenyl)-2-propenoate]

IUPAC Name

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Molecular Weight

606.9

Molecular Formula

C39H58O5

Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1CCC3C2(CCC4C3(CCC(C4(C)C)OC(=O)C=CC5=CC(=C(C=C5)O)O)C)C)C)O)C

InChI

InChI=1S/C39H58O5/c1-25(2)10-9-20-39(8,43)28-17-22-37(6)27(28)13-15-32-36(5)21-19-33(35(3,4)31(36)18-23-38(32,37)7)44-34(42)16-12-26-11-14-29(40)30(41)24-26/h10-12,14,16,24,27-28,31-33,40-41,43H,9,13,15,17-23H2,1-8H3/b16-12+/t27-,28+,31+,32-,33+,36+,37-,38-,39+/m1/s1

InChIKey

YVMAYTYEFBTXFR-MYGOKKNYSA-N

Boiling Point

691.4±50.0 °C(Predicted)

Purity

> 95%

Density

1.1±0.1 g/cm3

Appearance

Powder

pKa

8.46±0.20(Predicted)

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