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Hemslecin A - Analytical Standard, high purity , CAS No.58546-34-2

In stock
Item Number
H301089
Grouped product items
SKU Size
Availability
Price Qty
H301089-10mg
10mg
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$1,336.90
H301089-20mg
20mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$2,394.90
H301089-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$5,288.90

Basic Description

Synonyms Q-100672 | [(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate | Dihydrocucurbitacin Q1 | 1,2,16,20-Tetr
Specifications & Purity analytical standard
Shipped In Normal
Grade analytical standard

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Steroids and steroid derivatives
Subclass Cucurbitacins
Intermediate Tree Nodes Not available
Direct Parent Cucurbitacins
Alternative Parents Triterpenoids  Steroid esters  11-oxosteroids  14-alpha-methylsteroids  16-alpha-hydroxysteroids  3-alpha-hydroxysteroids  3-hydroxy delta-5-steroids  Delta-5-steroids  Acyloins  Tertiary alcohols  Alpha-hydroxy ketones  Cyclic alcohols and derivatives  Carboxylic acid esters  Secondary alcohols  Monocarboxylic acids and derivatives  Polyols  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aliphatic homopolycyclic compounds
Substituents Cucurbitacin skeleton - Triterpenoid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - Steroid ester - 2-hydroxysteroid - Hydroxysteroid - 3-hydroxy-delta-5-steroid - 11-oxosteroid - 3-hydroxysteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 3-alpha-hydroxysteroid - Oxosteroid - 14-alpha-methylsteroid - Delta-5-steroid - Acyloin - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
External Descriptors Not available

Associated Targets(Human)

COLO 205 (50209 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hepatitis B virus (7925 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name [(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
INCHI InChI=1S/C32H50O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25-26,34-35,38-39H,11-16H2,1-9H3/t19-,20+,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1
InChIKey LKYNAQSYQLFTCM-GYXNDICUSA-N
Smiles CC(=O)OC(C)(C)CCC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(C4(C)C)O)O)C)C)C)O)O
Isomeric SMILES CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O)C)C)C)O)O
PubChem CID 181183
Molecular Weight 562.73

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

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

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number Certificate Type Date Item
I2207736 Certificate of Analysis Jun 17, 2022 H301089

Chemical and Physical Properties

Molecular Weight 562.700 g/mol
XLogP3 2.600
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 7
Exact Mass 562.351 Da
Monoisotopic Mass 562.351 Da
Topological Polar Surface Area 141.000 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 1120.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
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

Citations of This Product

Solution Calculators

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