(9R,12R,14S)-9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.02,7.09,14]hexadeca-2(7),3,5-triene

• ChemBase ID: 182680
• Molecular Formular: C17H22O2
• Molecular Mass: 258.35538
• Monoisotopic Mass: 258.16197994
• SMILES: C12[C@H]3[C@](Oc4c2cccc4)(CC[C@@H](C(O1)(C)C)C3)C
• Canonical SMILES: C[C@]12CC[C@@H]3C[C@H]2C(c2c(O1)cccc2)OC3(C)C
• InChI: InChI=1S/C17H22O2/c1-16(2)11-8-9-17(3)13(10-11)15(19-16)12-6-4-5-7-14(12)18-17/h4-7,11,13,15H,8-10H2,1-3H3/t11-,13+,15?,17-/m1/s1
• InChIKey: YTVCRPDMRTXKHT-OSFXTMMPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9R,12R,14S)-9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.0^2,^7.0^9,^1^4]hexadeca-2(7),3,5-triene
• IUPAC Traditional name: (9R,12R,14S)-9,16,16-trimethyl-8,15-dioxatetracyclo[10.2.2.0^2,^7.0^9,^1^4]hexadeca-2(7),3,5-triene

Database IDs

• PubChem SID: 164238590
• PubChem CID: 16395507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4634166
• LogD (pH = 7.4): 3.4634166
• Log P: 3.4634166
• Molar Refractivity: 74.6471 cm^3
• Polarizability: 29.765017 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds