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(1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosa-14,17-diene-11,16-dione , CAS No.216453-74-6

COA

Cas Number: 216453-74-6
Molecular Weight: 428.5
PubChem CID: 91810638

In stock

Item Number

S669633

Grouped product items
SKU	Size	Availability	Price	Qty
S669633-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$473.90
S669633-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,419.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Hydroxysteroids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Hydroxysteroids
Intermediate Tree Nodes	Not available
Direct Parent	21-hydroxysteroids
Alternative Parents	Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids 3-oxo delta-1,4-steroids 11-oxosteroids Delta-1,4-steroids Alpha-hydroxy ketones 1,3-dioxolanes Cyclic ketones Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Progestogin-skeleton - 21-hydroxysteroid - Pregnane-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Oxosteroid - 11-oxosteroid - Delta-1,4-steroid - Meta-dioxolane - Alpha-hydroxy ketone - Cyclic ketone - Ketone - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organic oxygen compound - Carbonyl group - Aldehyde - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	(1S,2S,4R,8S,9S,12S,13R)-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-11,16-dione
INCHI	InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-17,20-22,26H,4-7,11-13H2,1-3H3/t16-,17-,20+,21?,22+,23-,24-,25+/m0/s1
InChIKey	NTERSHSWHLAIHV-ADKFLVHOSA-N
Smiles	[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])C(=O)C[C@]3(C)[C@@]1(OC(CCC)O2)C(=O)CO
Isomeric SMILES	CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4C(=O)C[C@@]3([C@@]2(O1)C(=O)CO)C)C
Alternate CAS	216453-74-6
PubChem CID	91810638
Molecular Weight	428.5

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