7β-Hydroxylathyrol - ≥98% , CAS No.34208-98-5

CAS: 34208-98-5 Cat. No.: H333395 Peso molecular: 350.45 PubChem CID: 24868376

GRADE & PURITY ≥98%

Synonyms

7-Hydroxylathyrol | (1aR,2E,4aR,6S,7S,7aR,8R,10R,11aS)-1,1a,4a,5,6,7,7a,8,9,10,11,11a-Dodecahydro-4a,7,8,10-tetrahydroxy-1,1,3,6-tetramethyl-9-methylene-4H-cyclopenta[a]cyclopropa[f]cycloundecen-4-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Application：

7β-Hydroxylathyrol is a diterpenoid extract from the seed oil of Caper Spurge and displays P-gp inhibition resulting in cytotoxic properties.

Specifications

Sinónimos

7-Hydroxylathyrol | (1aR, 2E, 4aR, 6S, 7S, 7aR, 8R, 10R, 11aS)-1, 1a, 4a, 5, 6, 7, 7a, 8, 9, 10, 11, 11a-Dodecahydro-4a, 7, 8, 10-tetrahydroxy-1, 1, 3, 6-tetramethyl-9-methylene-4H-cyclopenta[a]cyclopropa[f]cycloundecen-4-one

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504769889
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769889
• Sonrisas canónicas: CC1CC2(C(C1O)C(C(=C)C(CC3C(C3(C)C)C=C(C2=O)C)O)O)O
• IUPAC Name: (1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,9,11,13-tetrahydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
• InChIKey: NVDZRSWQWPPKAI-GNQYTXSHSA-N
• INCHI: 1S/C20H30O5/c1-9-6-12-13(19(12,4)5)7-14(21)11(3)17(23)15-16(22)10(2)8-20(15,25)18(9)24/h6,10,12-17,21-23,25H,3,7-8H2,1-2,4-5H3/b9-6-/t10-,12+,13-,14+,15+,16-,17-,20+/m0/s1
• Isómeros SMILES: C[C@H]1C[C@]2([C@H]([C@H]1O)[C@H](C(=C)[C@@H](C[C@H]3[C@H](C3(C)C)/C=C(\C2=O)/C)O)O)O
• PubChem CID: 24868376
• Peso molecular: 350.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: Tertiary alcohols Secondary alcohols Ketones Cyclic alcohols and derivatives Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Lathyrane diterpenoid - Diterpenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: 66 mg/mL(188.33 mM) in DMSO
• Peso molecular: 350.400 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 350.209 Da
• Monoisotopic Mass: 350.209 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 636.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1