Protosappanin B - 10mM in DMSO , CAS No.102036-29-3

CAS: 102036-29-3 Cat. No.: P420368 분자식: C₁₆H₁₆O₆ 분자량: 304.295

GRADE & PURITY 10mM in DMSO

Synonyms

FT-0689654 | (10S)-10-(hydroxymethyl)-8-oxatricyclo[10.4.0.0^{2,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol | DTXSID401317139 | (7S)-3,7,10,11-Tetrahydroxy-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-methanol | SCHEMBL164076 | A896916 | MFCD20527297

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Protosappanin B (FT-0689654, Q-100961), extracted from Lignum Sappan, possesses anti-inflammation and anti-oxidation properties.

Specifications

동의어

FT-0689654 | (10S)-10-(hydroxymethyl)-8-oxatricyclo[10.4.0.0^{2,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol | DTXSID401317139 | (7S)-3,7,10,11-Tetrahydroxy-7,8-dihydro-6H-dibenzo[b,d]oxocin-7-methanol | SCHEMBL164076 | A896916 | MFCD20527297

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528766813
• 정식 스마일: C1C2=CC(=C(C=C2C3=C(C=C(C=C3)O)OCC1(CO)O)O)O
• IUPAC Name: 10-(hydroxymethyl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol
• InChIKey: QRTYTQTVJQUCEP-UHFFFAOYSA-N
• INCHI: 1S/C16H16O6/c17-7-16(21)6-9-3-13(19)14(20)5-12(9)11-2-1-10(18)4-15(11)22-8-16/h1-5,17-21H,6-8H2
• 이성체 SMILES: C1C2=CC(=C(C=C2C3=C(C=C(C=C3)O)OCC1(CO)O)O)O
• 분자량: 304.295
• Reaxy-Rn: 6068063
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6068063&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols 1,2-diols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Tertiary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

• 감도: Sensitive to light
• 분자량: 304.290 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 304.095 Da
• Monoisotopic Mass: 304.095 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 391.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1