3-O-Methyltagitinin F

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5681

CAS

110382-37-1

Product Name

3-O-Methyltagitinin F

Structure

Product Details

Description

3-O-Methyltagitinin F is isolated from Tithonia diversifolia.

Synonyms

3-O-Methyltagitinin F; 110382-37-1; [(1S,2Z,4R,8R,9R,11S)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate; ZINC98214452W2262

IUPAC Name

[(1S,2Z,4R,8R,9R,11S)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl] 2-methylpropanoate

Molecular Weight

362.422

Molecular Formula

C20H26O6

Canonical SMILES

CC1=CC2C(C(CC3(C=CC1(O3)OC)C)OC(=O)C(C)C)C(=C)C(=O)O2

InChI

InChI=1S/C20H26O6/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/h7-9,11,14-16H,4,10H2,1-3,5-6H3/b12-9-/t14-,15-,16+,19-,20+/m1/s1

InChIKey

CVIBZCLITOHYRS-QEZURCCPSA-N

Appearance

Oil

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