Androstanolone-13C3|Dihydrotestosterone-2,3,4-13C3 solution|(1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(4,5,6-13C3)tetracyclo[8.7.0.02,7</sup...

Molecular Formula

C₁₉H₃₀O₂

Molecular Mass

293.41826451

Exact Mass

293.23464471

InChI

InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1/i7+1,11+1,13+1

InChIKey

NVKAWKQGWWIWPM-PUXGIKSBSA-N

Canonic Smiles

O=[13C]1[13CH2]C[C@]2([C@H]([13CH2]1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C

Isomeric Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]1[C@@]3(C[13CH2][13C](=O)[13CH2]1)C

JChem

Acid pKa

19.377705

H Acceptors

H Donor

LogD (pH = 5.5)

3.4112575

LogD (pH = 7.4)

3.4112577

Log P

3.4112577

Molar Refractivity

83.6031

Polarizability

33.49998

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

Androstanolone-13C3Dihydrotestosterone-2,3,4-13C3 solutionStanolone-13C35α-Androstan-17β-ol-3-one-13C3

IUPAC name

(1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(4,5,6-¹³C₃)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

IUPAC Traditional name

(1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(4,5,6-¹³C₃)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

MDL Number

MFCD17677358

PubChem SID

162230501

PubChem CID

71309682

Physical Property

Flash Point

41 °F

5 °C

Mass Shift

M+3

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

UN 2252 3/PG 2

P201-P210-P308+P313

-70°C

-20°C

H225-H332-H360FD

60-61-11-19-20

May form explosive peroxides.

Product Information

13C3C16H30O2

mol wt 293.39 by atom % calculation

0.1 mg/mL in 1,2-dimethoxyethane

99 atom % 13C

3 mo. at -20 °C (Please inquire with isosales@sial.com for a batch specific expiration date.)

No Data Available

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No Data Available

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Sigma Aldrich

730637

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

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Commercial Catalog

Academic Data

Synonyms

Androstanolone-13C3Dihydrotestosterone-2,3,4-13C3 solutionStanolone-13C35α-Androstan-17β-ol-3-one-13C3

IUPAC name

(1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(4,5,6-¹³C₃)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

IUPAC Traditional name

(1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(4,5,6-¹³C₃)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-one

MDL Number

PubChem SID

PubChem CID

730637

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Physical Property

Flash Point

41 °F

5 °C

Mass Shift

M+3

Safety Information

Product Information

13C3C16H30O2

mol wt 293.39 by atom % calculation

0.1 mg/mL in 1,2-dimethoxyethane

99 atom % 13C

3 mo. at -20 °C (Please inquire with isosales@sial.com for a batch specific expiration date.)

Purity

97% (CP)

Molecule

ID:136230