Safflower Yellow - 10mM in DMSO , CAS No.36338-96-2

CAS: 36338-96-2 Cat. No.: S423630 분자식: C₄₃H₄₂O₂₂ 분자량: 910.78 PubChem CID: 135565560

GRADE & PURITY 10mM in DMSO

Synonyms

C.I. Natural Red 26 | DTXSID50897503 | CCG-270568 | EINECS 252-981-1 | Q419193 | Carthamine | Carthamus Red AP | CHEBI:80810 | SCHEMBL121899 | 4-CYCLOHEXENE-1,3-DIONE, 6-.BETA.-D-GLUCOPYRANOSYL-2-((3-.BETA.-D-GLUCOPYRANOSYL-2,3,4-TRIHYDROXY-5-(3-(4-HYDROX

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

C.I. Natural Red 26 | DTXSID50897503 | CCG-270568 | EINECS 252-981-1 | Q419193 | Carthamine | Carthamus Red AP | CHEBI:80810 | SCHEMBL121899 | 4-CYCLOHEXENE-1,3-DIONE, 6-.BETA.-D-GLUCOPYRANOSYL-2-((3-.BETA.-D-GLUCOPYRANOSYL-2,3,4-TRIHYDROXY-5-(3-(4-HYDROX

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

정식 스마일

C1=CC(=CC=C1C=CC(=O)C2=C(C(C(=C(C2=O)C=C3C(=O)C(=C(C(C3=O)(C4C(C(C(C(O4)CO)O)O)O)O)O)C(=O)C=CC5=CC=C(C=C5)O)O)(C6C(C(C(C(O6)CO)O)O)O)O)O)O

IUPAC Name

(2Z,6S)-5,6-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[[(3S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl]methylidene]cyclohex-4-ene-1,3-dione

InChIKey

WLYGSPLCNKYESI-RSUQVHIMSA-N

INCHI

1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1

이성체 SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=C([C@@](C(=C(C2=O)/C=C\3/C(=O)C(=C([C@](C3=O)([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)C(=O)/C=C/C5=CC=C(C=C5)O)O)([C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O

PubChem CID

135565560

분자량

910.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycinnamic acids and derivatives
• Alternative Parents: C-glycosyl compounds Styrenes O-quinomethanes M-benzoquinones 1-hydroxy-2-unsubstituted benzenoids Cyclohexenones Oxanes Acyloins Monosaccharides Vinylogous acids Tertiary alcohols Acryloyl compounds Enones Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Enols Hydrocarbon derivatives Primary alcohols Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxycinnamic acid or derivatives - C-glycosyl compound - Glycosyl compound - M-benzoquinone - O-quinomethane - Quinomethane - Quinone - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Phenol - Acyloin - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Cyclic ketone - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Enol - Primary alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated.
• External Descriptors: hydroxycinnamic acid

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

• 분자량: 910.800 g/mol
• XLogP3: -2.500
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 11
• Exact Mass: 910.217 Da
• Monoisotopic Mass: 910.217 Da
• Topological Polar Surface Area: 407.000 Ų
• Heavy Atom Count: 65
• Formal Charge: 0
• Complexity: 2100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 36338-96-2. InChIKey WLYGSPLCNKYESI-RSUQVHIMSA-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.