(2'S,7'S,15'S)-2',15'-dimethylspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadecan]-4'-ene

• ChemBase ID: 183306
• Molecular Formular: C21H32O2
• Molecular Mass: 316.47758
• Monoisotopic Mass: 316.24023026
• SMILES: [C@@]12(C(C3C([C@@]4([C@@H](CC3)CC=CC4)C)CC2)CCC21OCCO2)C
• Canonical SMILES: C[C@]12CC=CC[C@@H]1CCC1C2CC[C@]2(C1CCC12OCCO1)C
• InChI: InChI=1S/C21H32O2/c1-19-10-4-3-5-15(19)6-7-16-17(19)8-11-20(2)18(16)9-12-21(20)22-13-14-23-21/h3-4,15-18H,5-14H2,1-2H3/t15-,16?,17?,18?,19+,20+/m1/s1
• InChIKey: LPIHDSBQLYQECR-RBQJEXAMSA-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]heptadecan]-4'-ene
• 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]heptadecan]-4'-ene

Database IDs

• PubChem SID: 164239216
• PubChem CID: 16395666

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9248962
• LogD (pH = 7.4): 4.9248962
• Log P: 4.9248962
• Molar Refractivity: 93.1894 cm^3
• Polarizability: 36.910458 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds