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Sec-O-Glucosylhamaudol - 10mM in DMSO, high purity , CAS No.80681-44-3

COA

Grade & Purity:

10mM in DMSO

Cas Number: 80681-44-3
Molecular Weight: 438.43
PubChem CID: 10478277

In stock

Item Number

S426090

Grouped product items
SKU	Size	Availability	Price	Qty
S426090-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90

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Class A GPCR (4138) Compound libraries (12325)

Basic Description

Synonyms	sec-o-Glucosylhamaudol \| 80681-44-3 \| (3S)-5-hydroxy-2,2,8-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydropyrano[3,2-g]chromen-6-one \| (S)-5-Hydroxy-2,2,8-trimethyl-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Sec-O-Glucosylhamaudol (Hamaudol 3-glucoside) is one of the major bioactive compounds of the Saposhnikoviae Radix.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Sec-O-Glucosylhamaudol (Hamaudol 3-glucoside) is one of the major bioactive compounds of the Saposhnikoviae Radix.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Pyranochromenes
Alternative Parents	2,2-dimethyl-1-benzopyrans Hexoses Chromones O-glycosyl compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyranochromene - Hexose monosaccharide - 2,2-dimethyl-1-benzopyran - Chromone - Glycosyl compound - O-glycosyl compound - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Monosaccharide - Oxane - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Polyol - Oxacycle - Acetal - Ether - Primary alcohol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyranochromenes. These are organic heterocyclic compounds containing a pyran ring fused to a chromene (1-benzopyran) moiety.
External Descriptors	chromenes
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

Product Properties

ALogP	0.042
HBD Count	5
Rotatable Bond	3

Names and Identifiers

IUPAC Name	(3S)-5-hydroxy-2,2,8-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydropyrano[3,2-g]chromen-6-one
INCHI	InChI=1S/C21H26O10/c1-8-4-10(23)15-12(28-8)6-11-9(16(15)24)5-14(21(2,3)31-11)30-20-19(27)18(26)17(25)13(7-22)29-20/h4,6,13-14,17-20,22,24-27H,5,7H2,1-3H3/t13-,14+,17-,18+,19-,20+/m1/s1
InChIKey	QVUPQEXKTXSMKX-JJDILSOYSA-N
Smiles	CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C(C3)OC4C(C(C(C(O4)CO)O)O)O)(C)C)O
Isomeric SMILES	CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C)C)O
PubChem CID	10478277
Molecular Weight	438.43

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	88
DMSO(mM) Max Solubility	200.718416831663
Molecular Weight	438.400 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	3
Exact Mass	438.153 Da
Monoisotopic Mass	438.153 Da
Topological Polar Surface Area	155.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	723.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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