3-O-Methyltirotundin

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5592

CAS

1021945-29-8

Product Name

3-O-Methyltirotundin

Structure

Product Details

Description

3-O-Methyltirotundin is a natural sesquiterpenoid isolated from the herb of Tithonia diversifolia.

Synonyms

2-methyl-,(3aS,4R,6S,9S,10S,11aR)-dodecahydro-9-methoxy-6,10-dimethyl-3-methylene
-2-oxo-6,9-epoxycyclodeca[b]furan-4-ylester

IUPAC Name

[(1S,2S,4R,8S,9R,11R)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

Molecular Weight

366.5

Molecular Formula

C20H30O6

Canonical SMILES

CC1CC2C(C(CC3(CCC1(O3)OC)C)OC(=O)C(C)C)C(=C)C(=O)O2

InChI

InChI=1S/C20H30O6/c1-11(2)17(21)25-15-10-19(5)7-8-20(23-6,26-19)12(3)9-14-16(15)13(4)18(22)24-14/h11-12,14-16H,4,7-10H2,1-3,5-6H3/t12-,14+,15+,16-,19+,20-/m0/s1

Boiling Point

474.4±45.0 °C(Predicted)

Purity

>95%

Density

1.15±0.1 g/cm3(Predicted)

Appearance

Oil

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