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(7R，8R，9S，13S，14S，17S)-7-(9-Bromononyl)-3-hydroxy-13-methyl-7，8，9，11，12，13，14，15，16，17-decahydro-6H-cyclopenta[a]phenanthren-17-yl acetate - ≥95%, high purity , CAS No.875573-66-3

COA

Grade & Purity:

≥95%

Cas Number: 875573-66-3
Molecular Weight: 519.57
PubChem CID: 70700526

In stock

Item Number

H734781

Grouped product items
SKU	Size	Availability	Price
H734781-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$391.90
H734781-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$624.90
H734781-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,565.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Steroid esters
Intermediate Tree Nodes	Not available
Direct Parent	Steroid esters
Alternative Parents	Estrogens and derivatives 3-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Steroid ester - Estrogen-skeleton - 3-hydroxysteroid - Estrane-skeleton - Hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Organohalogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
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	[(7R,8R,9S,13S,14S,17S)-7-(9-bromononyl)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate
INCHI	InChI=1S/C29H43BrO3/c1-20(31)33-27-14-13-26-28-21(10-8-6-4-3-5-7-9-17-30)18-22-19-23(32)11-12-24(22)25(28)15-16-29(26,27)2/h11-12,19,21,25-28,32H,3-10,13-18H2,1-2H3/t21-,25-,26+,27+,28-,29+/m1/s1
InChIKey	KFPTYJLFIUUHEJ-LIHJZYAESA-N
Smiles	CC(=O)OC1CCC2C1(CCC3C2C(CC4=C3C=CC(=C4)O)CCCCCCCCCBr)C
Isomeric SMILES	CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCBr)C
PubChem CID	70700526
Molecular Weight	519.57

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	519.600 g/mol
XLogP3	8.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Exact Mass	518.24 Da
Monoisotopic Mass	518.24 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	638.000
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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