(2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecane]-5'-yl acetate

• ChemBase ID: 184665
• Molecular Formular: C23H36O4
• Molecular Mass: 376.52954
• Monoisotopic Mass: 376.26135963
• SMILES: [C@@]12(C(C3C([C@@]4([C@H](CC(OC(=O)C)CC4)CC3)C)CC2)CCC21OCCO2)C
• Canonical SMILES: CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CCC12OCCO1)C)C
• InChI: InChI=1S/C23H36O4/c1-15(24)27-17-6-9-21(2)16(14-17)4-5-18-19(21)7-10-22(3)20(18)8-11-23(22)25-12-13-26-23/h16-20H,4-14H2,1-3H3/t16-,17?,18?,19?,20?,21-,22-/m0/s1
• InChIKey: DPBGWNOQXKBDCB-RQCZVXGBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5'-yl acetate
• IUPAC Traditional name: (2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-5'-yl acetate

Database IDs

• PubChem SID: 164240575
• PubChem CID: 16396047

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.3412247
• LogD (pH = 7.4): 4.3412247
• Log P: 4.3412247
• Molar Refractivity: 102.8938 cm^3
• Polarizability: 41.59988 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds