Estrone-2,3,4-¹³C₃ solution - ≥99 atom% D,≥98%, 100μg/mL in methanol , CAS No.1241684-29-6

CAS: 1241684-29-6 Cat. No.: E466282 Formula: C₁₅¹³C₃H₂₂O₂ Molecular Weight: 273.34 EC Number: 694-115-9

GRADE & PURITY ≥99 atom% D,≥98%, 100μg/mL in methanol

Synonyms

3-Hydroxy(2,3,4-~13~C_3_)estra-1,3,5(10)-trien-17-one | 1241684-29-6 | Estrone-2,3,4-13C3 | SCHEMBL1331034 | Estrone-2,3,4-13C3, 99 atom % 13C, 98% (CP) | J-005048 | 1,3,5(10)-Estratrien-3-ol-17-one-13C3 | HY-B0234S | DTXSID80736173 | Estrone-13C3 | 3-Hyd

Storage

Room temperature

Overview

Description

This product may be used as an analytical standard.

Specifications

Synonyms

3-Hydroxy(2,3,4-~13~C_3_)estra-1,3,5(10)-trien-17-one | 1241684-29-6 | Estrone-2,3,4-13C3 | SCHEMBL1331034 | Estrone-2,3,4-13C3, 99 atom % 13C, 98% (CP) | J-005048 | 1,3,5(10)-Estratrien-3-ol-17-one-13C3 | HY-B0234S | DTXSID80736173 | Estrone-13C3 | 3-Hyd

Specifications & Purity

≥99 atom% D,≥98%, 100μg/mL in methanol

Storage

Room temperature

Purity

≥99 atom% D,≥98%

Names and Identifiers

• Canonical Smiles: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
• IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• InChIKey: DNXHEGUUPJUMQT-JTCDCFKFSA-N
• INCHI: 1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3+1,10+1,12+1
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=[13CH][13C](=[13CH]4)O
• Molecular Weight: 273.34
• Reaxy-Rn: 1915075
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1915075&ln=

Chemical and Physical Properties

• x_melt_point_char: 258-260° C (lit.)

Frequently Asked Questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is isotopically enriched to ≥99 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1241684-29-6, the molecular formula is C1513C3H22O2, and the molecular weight is 273.34 g/mol. InChIKey DNXHEGUUPJUMQT-JTCDCFKFSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.