12-Demethylneocaesalpin F

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For Research Use Only.

Size	Price	Stock	Quantity
1 mg	$519	In stock

Category

Diterpenoids

Cat.No.

NP1652

CAS

1228964-10-0

Product Name

12-Demethylneocaesalpin F

Structure

Product Details

Description

12-Demethylneocaesalpin F is a diterpenoid found in Caesalpinia.

Synonyms

(4aR,5R,6R,6aS,7R,10aR,11aS,11bR)-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-5-yl benzoate

IUPAC Name

[(4aR,5R,6R,6aS,7R,10aR,11aS,11bR)-4a,6,10a-trihydroxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] benzoate

Molecular Weight

470.555

Molecular Formula

C27H34O7

Canonical SMILES

CC1C2C(CC3(C1=CC(=O)O3)O)C4(CCCC(C4(C(C2O)OC(=O)C5=CC=CC=C5)O)(C)C)C

InChI

InChI=1S/C27H34O7/c1-15-17-13-19(28)34-26(17,31)14-18-20(15)21(29)22(33-23(30)16-9-6-5-7-10-16)27(32)24(2,3)11-8-12-25(18,27)4/h5-7,9-10,13,15,18,20-22,29,31-32H,8,11-12,14H2,1-4H3/t15-,18-,20-,21+,22+,25+,26+,27+/m0/s1

InChIKey

VHLRSKHOMKTLFY-WKAYIHASSA-N

Melting Point

159-161 °C

Purity

96%

Density

1.3±0.1 g/cm3

Appearance

Powder

Form

Powder

Packaging

1 mg

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