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![[1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one (CAS 57780-81-1) chemical structure](/media/structures/URXOPPKRKXBFSM-USJZOSNVSA-N.svg)
VAQORA[1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one
Synonyms: (1S,3aS,4S,7aS)-4-(2,5-dihydroxyphenethyl)-1-hydroxy-7a-methylhexahydro-1H-inden-5(6H)-one
CAS No.57780-81-1
FormulaC18H24O4
Mol. weight304.40
Catalogue No.VQ-030598
PurityReference Standard
HSN38229090
[1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one (CAS 57780-81-1) – Estradiol impurity standard.
Pack sizesPrice on quotation · bulk available
10 mg
25 mg
50 mg
100 mg
Bulk / custom pack · kg to MT
Enquire Batch COA with every lot
16-section GHS SDS
Export to 120+ countries
DG-compliant packing
About [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one
Vaqora Chemicals supplies [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one, a metabolite or degradation product of Estradiol registered under CAS number 57780-81-1. With the molecular formula C18H24O4, it has a molar mass of 304.4 g/mol. Its systematic (IUPAC) name is (1S,3aS,4S,7aS)-4-[2-(2,5-dihydroxyphenyl)ethyl]-1-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one.
The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Good laboratory practice and suitable PPE are recommended during handling.
Analytical teams use this compound to identify metabolites and degradants of Estradiol, to validate stability-indicating methods (AMV) and to support QC and regulatory filings. It is used across pharmaceutical manufacturing and academic and industrial research.
Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.
Typical applications
- Metabolite identification
- Stability-indicating methods
- Impurity profiling
- Fine chemical synthesis
Industries
Related to Estradiol
View every impurity, metabolite and intermediate we list for Estradiol.
Estradiol impuritiesSpecifications & identifiers
| Product name | [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one |
|---|---|
| Catalogue No. | VQ-030598 |
| CAS Number | 57780-81-1 |
| IUPAC name | (1S,3aS,4S,7aS)-4-[2-(2,5-dihydroxyphenyl)ethyl]-1-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one |
| Molecular formula | C18H24O4 |
| Molecular weight | 304.4 g/mol |
| Exact mass | 304.1675 |
| Grade | Reference Standard |
| HSN code | 38229090 |
| InChIKey | URXOPPKRKXBFSM-USJZOSNVSA-N |
| SMILES | C[C@]12CCC(=O)[C@H]([C@@H]1CC[C@@H]2O)CCC3=C(C=CC(=C3)O)O |
| PubChem CID | 139024273 |
| Physical form | Solid |
|---|---|
| LogP (XLogP3) | 2.5 |
| H-bond donors / acceptors | 3 / 4 |
| TPSA | 77.8 Ų |
Documents
Frequently asked questions
What is the CAS number of [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one?
The CAS Registry Number of [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one is 57780-81-1. It is also known as (1S,3aS,4S,7aS)-4-(2,5-dihydroxyphenethyl)-1-hydroxy-7a-methylhexahydro-1H-inden-5(6H)-one.
What is the molecular formula and molecular weight of [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one?
[1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one has the molecular formula C18H24O4 and a molecular weight of 304.4 g/mol. Its IUPAC name is (1S,3aS,4S,7aS)-4-[2-(2,5-dihydroxyphenyl)ethyl]-1-hydroxy-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-5-one.
What is [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one used for?
[1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one is supplied as a characterised reference material related to Estradiol. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.
Which grade and pack sizes of [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one can I order?
We supply [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.
Do you provide a COA and SDS with [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one?
Yes. Every lot of [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.
Can [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one be shipped internationally?
Yes. We export [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.
Enquire about [1S-(1α,3Aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one
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