(2R,2'S,15'S)-2',15'-dimethylspiro[oxetane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecane]

• ChemBase ID: 180902
• Molecular Formular: C21H34O
• Molecular Mass: 302.49406
• Monoisotopic Mass: 302.26096571
• SMILES: [C@@]12(C(C3C([C@@]4(C(CC3)CCCC4)C)CC2)CC[C@@]21OCC2)C
• Canonical SMILES: C[C@]12CCCCC1CCC1C2CC[C@]2(C1CC[C@]12CCO1)C
• InChI: InChI=1S/C21H34O/c1-19-10-4-3-5-15(19)6-7-16-17(19)8-11-20(2)18(16)9-12-21(20)13-14-22-21/h15-18H,3-14H2,1-2H3/t15?,16?,17?,18?,19-,20-,21+/m0/s1
• InChIKey: TWYXKHRPXODJJX-LIASXULMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,2'S,15'S)-2',15'-dimethylspiro[oxetane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]
• IUPAC Traditional name: (2R,2'S,15'S)-2',15'-dimethylspiro[oxetane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]

Database IDs

• PubChem SID: 164236812
• PubChem CID: 16395078

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0458055
• LogD (pH = 7.4): 5.0458055
• Log P: 5.0458055
• Molar Refractivity: 90.4989 cm^3
• Polarizability: 36.47475 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds