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

CAS: 34208-98-5 Cat. No.: H333395 분자식: C₂₀H₃₀O₅ 분자량: 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

개요

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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504769889
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769889
• 정식 스마일: 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
• 이성체 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
• 분자량: 350.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: 66 mg/mL(188.33 mM) in DMSO
• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34208-98-5, the molecular formula is C20H30O5, and the molecular weight is 350.45 g/mol. InChIKey NVDZRSWQWPPKAI-GNQYTXSHSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.