(2'R,10'R,14'R,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-oxolan]-7'-en-5''-one

• ChemBase ID: 119633
• Molecular Formular: C24H34O4
• Molecular Mass: 386.52436
• Monoisotopic Mass: 386.24570957
• SMILES: [C@]12([C@@]3(OC(=O)CC3)CCC1[C@H]1C([C@@]3(C(=CC1)CC1(OCCO1)CC3)C)CC2)C
• Canonical SMILES: O=C1CC[C@]2(O1)CCC1[C@]2(C)CCC2[C@H]1CC=C1[C@]2(C)CCC2(C1)OCCO2
• InChI: InChI=1S/C24H34O4/c1-21-11-12-24(26-13-14-27-24)15-16(21)3-4-17-18(21)5-8-22(2)19(17)6-9-23(22)10-7-20(25)28-23/h3,17-19H,4-15H2,1-2H3/t17-,18?,19?,21+,22+,23-/m1/s1
• InChIKey: QZDICFWNRZAVJB-PZWMIBCYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2'R,10'R,14'R,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',2''-oxolan]-7'-en-5''-one
• IUPAC Traditional name: (2'R,10'R,14'R,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14',2''-oxolan]-7'-en-5''-one
• Synonyms: (2'R,10'R,14'R,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-14',2''-oxolan]-7'-en-5''-one

Database IDs

• PubChem SID: 162107703
• PubChem CID: 16394615

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8577156
• LogD (pH = 7.4): 3.8577156
• Log P: 3.8577156
• Molar Refractivity: 106.6391 cm^3
• Polarizability: 42.471016 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true