(2S,2'S,4'R,14'S,15'S)-2',4',15'-trimethyl-14'-propylspiro[oxirane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane]-14'-ol

• ChemBase ID: 180934
• Molecular Formular: C24H40O2
• Molecular Mass: 360.5732
• Monoisotopic Mass: 360.30283052
• SMILES: [C@@]12(C3C(C4[C@@]([C@](CC4)(O)CCC)(CC3)C)CCC2C[C@]2(OC2)[C@@H](C1)C)C
• Canonical SMILES: CCC[C@]1(O)CCC2[C@]1(C)CCC1C2CCC2[C@]1(C)C[C@@H](C)[C@]1(C2)OC1
• InChI: InChI=1S/C24H40O2/c1-5-10-24(25)12-9-20-18-7-6-17-14-23(15-26-23)16(2)13-21(17,3)19(18)8-11-22(20,24)4/h16-20,25H,5-15H2,1-4H3/t16-,17?,18?,19?,20?,21+,22+,23-,24+/m1/s1
• InChIKey: DWXSJAAPPYYVFJ-GMOPGQEBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,2'S,4'R,14'S,15'S)-2',4',15'-trimethyl-14'-propylspiro[oxirane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-14'-ol
• IUPAC Traditional name: (2S,2'S,4'R,14'S,15'S)-2',4',15'-trimethyl-14'-propylspiro[oxirane-2,5'-tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane]-14'-ol

Database IDs

• PubChem SID: 164236844
• PubChem CID: 16395087

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.2117667
• LogD (pH = 7.4): 5.2117677
• Log P: 5.2117677
• Molar Refractivity: 105.5378 cm^3
• Polarizability: 42.607525 Å^3
• Polar Surface Area: 32.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds