(1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl benzoate

• ChemBase ID: 133806
• Molecular Formular: C26H34O3
• Molecular Mass: 394.54636
• Monoisotopic Mass: 394.25079495
• SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)c1ccccc1)C
• Canonical SMILES: O=C1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2OC(=O)c1ccccc1)C)C
• InChI: InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,18,20-23H,8-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
• InChIKey: ZGDZDAPCWHIIKB-LVYWIKMTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,7S,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-yl benzoate
• IUPAC Traditional name: sarcosan
• Synonyms: 17β-Hydroxy-5α-androstan-3-one 17-benzoate; 5α-Androstan-17β-ol-3-one benzoate; Androstanolone 17-benzoate; Dihydrotestosterone benzoate; Stanolone benzoate; 17-安息香酸雄甾醇酮; 雄甾醇酮 17-苯甲酸酯; 雄诺龙 17-苯甲酸酯

Database IDs

• CAS Number: 1057-07-4
• EC Number: 213-891-8
• MDL Number: MFCD00003666
• Beilstein Number: 3122672
• PubChem SID: 24869669; 162228083
• PubChem CID: 13987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9065576
• LogD (pH = 7.4): 5.9065576
• Log P: 5.9065576
• Molar Refractivity: 113.4251 cm^3
• Polarizability: 45.056522 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: BV8058500
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 63
• Safety Statements: 36/37
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H361
• GHS Precautionary statements: P281
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Drug Control: USDEA Schedule III; Home Office Schedule 4.2; regulated under CDSA - not available from Sigma-Aldrich Canada; USDEA Schedule IIIN; regulated under CDSA - not available from Sigma-Aldrich Canada

Product Information

• Grade: VETRANAL™, analytical standard
• Empirical Formula (Hill Notation): C26H34O3

DETAILS

Sigma Aldrich - 46025

Legal Information
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