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Beiwutine

$704

  • Brand : BIOFRON

  • Catalogue Number : BN-O1475

  • Specification : 98%(HPLC)

  • CAS number : 76918-93-9

  • Formula : C33H45NO12

  • Molecular Weight : 647.7

  • PUBCHEM ID : 21627927

  • Volume : 10mg

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Catalogue Number

BN-O1475

Analysis Method

Specification

98%(HPLC)

Storage

2-8°C

Molecular Weight

647.7

Appearance

Botanical Source

Structure Type

Category

SMILES

CC(=O)OC12C3C(C4C5(CN(C3C4(C(CC5O)OC)C6(C1C(C(C6)(C(C2O)OC)O)OC(=O)C7=CC=CC=C7)O)C)COC)OC

Synonyms

[(1R,2S,3S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

IUPAC Name

[(1R,2S,3S,4R,5R,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Density

Solubility

Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Flash Point

Boiling Point

Melting Point

InChl

InChl Key

GPTAWZLFSGYZGC-JDMPSTDXSA-N

WGK Germany

RID/ADR

HS Code Reference

Personal Projective Equipment

Correct Usage

For Reference Standard and R&D, Not for Human Use Directly.

Meta Tag

provides coniferyl ferulate(CAS#:76918-93-9) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of coniferyl ferulate are included as well.>> amp version: coniferyl ferulate

No Technical Documents Available For This Product.

PMID

29765718

Abstract

The title compound, C38H40Br2N2, crystallizes in the triclinic space group P-1 with two mol­ecules in a unit cell. The two carbazole groups are nearly coplanar, making a dihedral angle of 16.90 (5)°, and are bridged by vinyl. The crystal structure features π-π and C—H⋯π inter­actions and C—H⋯Br short contacts.

KEYWORDS

π-conjugated, carbazole derivative, π-π and C—H⋯π inter­molecular inter­actions, C—H⋯Br short contacts., crystal structure

Title

Crystal structure of (E)-1,2-bis­(6-bromo-9-hexyl-9H-carbazol-3-yl)ethene

Author

Ying Feng,a Wei Guo,a Zhi Liu,a,* Xinyu Luo,a Dingchao Zhang,a Li Li,a and Deliang Cuia

Publish date

2018 Mar 1;

PMID

27006809

Abstract

We describe the crystal structures of four indole derivatives with a phenyl ring at the 2-position and different carbonyl-linked substituents at the 3-position, namely 1-(2-phenyl-1H-indol-3-yl)ethanone, C16H13NO, (I), 2-cyclo­hexyl-1-(2-phenyl-1H-indol-3-yl)ethanone, C22H23NO, (II), 3,3-dimethyl-1-(2-phenyl-1H-indol-3-yl)butan-1-one, C20H21NO, (III), and 3-benzoyl-2-phenyl-1H-indole, C21H15NO, (IV). In each case, the carbonyl-group O atom lies close to the indole-ring plane and points towards the benzene ring. The dihedral angles between the indole ring system and 2-phenyl ring for these structures are clustered in a narrow range around 65°. The dominant inter­molecular inter­action in each case is an N—H⋯O hydrogen bond, which generates a C(6) chain, although each structure possesses a different crystal symmetry. The C(6) chains are consolidated by different (C—H⋯O, C—H⋯π and π-π stacking) weak inter­actions, with little consistency between the structures.

KEYWORDS

crystal structure, indole, N—H⋯O hydrogen bond, C(6) chain, weak inter­actions

Title

Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the C(6) N—H⋯O chain remains the same, but the weak reinforcing inter­actions are different

Author

Jamie R. Kerr,a Laurent Trembleau,a,* John M. D. Storey,a James L. Wardell,a,b and William T. A. Harrisona

Publish date

2016 Mar 1;

PMID

30225101

Abstract

The title compound, C19H18N4O2, crystallizes with two independent mol­ecules in the asymmetric unit. The triazole ring is inclined to the benzene rings by 9.63 (13) and 87.37 (12)° in one mol­ecule, and by 4.46 (13) and 86.15 (11)° in the other. In the crystal, classical N—H⋯N hydrogen bonds, weak C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions link the mol­ecules into a three-dimensional supra­molecular network. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the inter­molecular inter­actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (51.4%), H⋯C/C⋯H (26.7%), H⋯O/O⋯H (8.9%) and H⋯N/N⋯H (8%) inter­actions.

KEYWORDS

crystal structure, Biginelli condensation, benzoxa­diazo­cine, Hirshfeld surface

Title

Hirshfeld surface analysis and crystal structure of 7-meth­oxy-5-methyl-2-phenyl-11,12-di­hydro-5,11-methano-1,2,4-triazolo[1,5-c][1,3,5]benzoxadiazo­cine

Author

Hoong-Kun Fun, Samuel Robinson Jebas, K. V Sujith, Balakrishna Kalluraya

Publish date

2009 Jun 1


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