1-Deacetylnimbolinin B

Inquiry

For Research Use Only.

Size	Price	Stock	Quantity
5 mg	$939	In stock

Category

Terpenes

Cat.No.

NP6963

CAS

76689-98-0

Product Name

1-Deacetylnimbolinin B

Structure

Product Details

Description

1-Deacetylnimbolinin B isolated from the seeds of Melia toosendan Sieb. et Zucc.

Synonyms

1-Deacetylnimbolinin B; 76689-98-0; [(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate; C33H44O9; ZINC95910334

IUPAC Name

[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate

Molecular Weight

584.7

Molecular Formula

C33H44O9

Canonical SMILES

CC=C(C)C(=O)OC1C2C3C(CO2)(C(CC(C3(C4C1(C5=C(C(CC5OC(C4)O)C6=COC=C6)C)C)C)O)OC(=O)C)C

InChI

InChI=1S/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/b16-8+/t20-,21+,22-,23+,24-,25-,27-,28+,29-,31-,32+,33-/m1/s1

InChIKey

YOBMBNWOJMLHDF-VOYNGPTCSA-N

Boiling Point

665.4±55.0 °C(Predicted)

Purity

95%

Density

1.28±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

12.57±0.70(Predicted)