(7R)-4,7,15-trimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase ID: 185785
• Molecular Formular: C24H22O2
• Molecular Mass: 342.43028
• Monoisotopic Mass: 342.16197994
• SMILES: c12c3c(oc4c3cc(cc4)C)CC[C@@](c1cc(o2)C)(c1ccccc1)C
• Canonical SMILES: Cc1ccc2c(c1)c1c(o2)CC[C@](c2c1oc(c2)C)(C)c1ccccc1
• InChI: InChI=1S/C24H22O2/c1-15-9-10-20-18(13-15)22-21(26-20)11-12-24(3,17-7-5-4-6-8-17)19-14-16(2)25-23(19)22/h4-10,13-14H,11-12H2,1-3H3/t24-/m1/s1
• InChIKey: JCDZFMLDAJSHDK-XMMPIXPASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7R)-4,7,15-trimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene
• IUPAC Traditional name: (7R)-4,7,15-trimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene

Database IDs

• PubChem SID: 164241695
• PubChem CID: 2058134

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.045473
• LogD (pH = 7.4): 6.045473
• Log P: 6.045473
• Molar Refractivity: 115.1429 cm^3
• Polarizability: 42.259083 Å^3
• Polar Surface Area: 26.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds