1-[(2'R,14'R,15'S)-2',15'-dimethyl-14'-[(trimethylsilyl)oxy]spiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecan]-7'-en-14'-yl]ethan-1-one

• ChemBase ID: 181186
• Molecular Formular: C26H42O4Si
• Molecular Mass: 446.69478
• Monoisotopic Mass: 446.28523636
• SMILES: [C@]1([C@@]2(C(C3C([C@@]4(C(=CC3)CC3(OCCO3)CC4)C)CC2)CC1)C)(O[Si](C)(C)C)C(=O)C
• Canonical SMILES: CC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC1(C2)OCCO1)O[Si](C)(C)C
• InChI: InChI=1S/C26H42O4Si/c1-18(27)26(30-31(4,5)6)12-10-22-20-8-7-19-17-25(28-15-16-29-25)14-13-23(19,2)21(20)9-11-24(22,26)3/h7,20-22H,8-17H2,1-6H3/t20?,21?,22?,23-,24-,26-/m0/s1
• InChIKey: PSTZCHSKHUFSPW-XGQAODGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2'R,14'R,15'S)-2',15'-dimethyl-14'-[(trimethylsilyl)oxy]spiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan]-7'-en-14'-yl]ethan-1-one
• IUPAC Traditional name: 1-[(2'R,14'R,15'S)-2',15'-dimethyl-14'-[(trimethylsilyl)oxy]spiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan]-7'-en-14'-yl]ethanone

Database IDs

• PubChem SID: 164237096
• PubChem CID: 16395145

CALCULATED PROPERTIES

• Acid pKa: 18.061281
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.5784
• LogD (pH = 7.4): 5.5784
• Log P: 5.5784
• Molar Refractivity: 120.5041 cm^3
• Polarizability: 49.812576 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds