(1S,2S,4R,5R,7S,10R,11S,14S,15S)-2,4,14,15-tetramethylspiro[tetracyclo[8.7.0.02,7.011,15]heptadecane-5,2'-thiirane]-14-ol

• ChemBase ID: 208208
• Molecular Formular: C22H36OS
• Molecular Mass: 348.58564
• Monoisotopic Mass: 348.24868677
• SMILES: [C@@]12([C@@H]3[C@H]([C@H]4[C@@]([C@](CC4)(O)C)(CC3)C)CC[C@H]2C[C@@]2(SC2)[C@@H](C1)C)C
• Canonical SMILES: C[C@@H]1C[C@@]2(C)[C@H](C[C@@]31CS3)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C
• InChI: InChI=1S/C22H36OS/c1-14-11-19(2)15(12-22(14)13-24-22)5-6-16-17(19)7-9-20(3)18(16)8-10-21(20,4)23/h14-18,23H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21+,22+/m1/s1
• InChIKey: YQPXGHUOOLIGIF-OEZURGNFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S,4R,5R,7S,10R,11S,14S,15S)-2,4,14,15-tetramethylspiro[tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-5,2'-thiirane]-14-ol
• IUPAC Traditional name: (1S,2S,4R,5R,7S,10R,11S,14S,15S)-2,4,14,15-tetramethylspiro[tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-5,2'-thiirane]-14-ol

Database IDs

• PubChem SID: 164264118
• PubChem CID: 11876258

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.772687
• LogD (pH = 7.4): 4.7726874
• Log P: 4.7726874
• Molar Refractivity: 102.6428 cm^3
• Polarizability: 41.302975 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds