(1R,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2(7),3,5-trien-4-ol

• ChemBase ID: 304299
• Molecular Formular: C18H24O2
• Molecular Mass: 272.38196
• Monoisotopic Mass: 272.17763001
• SMILES: C1CC([C@H]2[C@]3(C1)c1c([C@@H](C2)OC3)cc(c(c1)O)C)(C)C
• Canonical SMILES: Cc1cc2[C@@H]3OC[C@@]4(c2cc1O)[C@@H](C3)C(C)(C)CCC4
• InChI: InChI=1S/C18H24O2/c1-11-7-12-13(8-14(11)19)18-6-4-5-17(2,3)16(18)9-15(12)20-10-18/h7-8,15-16,19H,4-6,9-10H2,1-3H3/t15-,16-,18-/m0/s1
• InChIKey: RHXIVZRYHFCBDN-BQFCYCMXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.0^1,^1^0.0^2,^7]hexadeca-2(7),3,5-trien-4-ol
• IUPAC Traditional name: (1R,8S,10S)-5,11,11-trimethyl-16-oxatetracyclo[6.6.2.0^1,^1^0.0^2,^7]hexadeca-2(7),3,5-trien-4-ol
• Synonyms: Przewalskin

Database IDs

• CAS Number: 119400-87-2

CALCULATED PROPERTIES

• Acid pKa: 9.800468
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.172019
• LogD (pH = 7.4): 4.170326
• Log P: 4.1720405
• Molar Refractivity: 80.3382 cm^3
• Polarizability: 31.375977 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Product Information

• Purity: 98.0