(2S,14R,15S)-2,15-dimethylspiro[tetracyclo[8.7.0.02,7.011,15]heptadecane-14,2'-thiirane]

• ChemBase ID: 183154
• Molecular Formular: C20H32S
• Molecular Mass: 304.53308
• Monoisotopic Mass: 304.22247202
• SMILES: [C@@]12([C@@]3(C(C4C([C@@]5(C(CC4)CCCC5)C)CC3)CC2)C)SC1
• Canonical SMILES: C[C@]12CCCCC1CCC1C2CC[C@]2(C1CC[C@]12SC1)C
• InChI: InChI=1S/C20H32S/c1-18-10-4-3-5-14(18)6-7-15-16(18)8-11-19(2)17(15)9-12-20(19)13-21-20/h14-17H,3-13H2,1-2H3/t14?,15?,16?,17?,18-,19-,20-/m0/s1
• InChIKey: GNGCLVAAJKWTTQ-YAQFZYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,14R,15S)-2,15-dimethylspiro[tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14,2'-thiirane]
• IUPAC Traditional name: (2S,14R,15S)-2,15-dimethylspiro[tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-14,2'-thiirane]

Database IDs

• PubChem SID: 164239064
• PubChem CID: 16395627

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5138564
• LogD (pH = 7.4): 5.5138564
• Log P: 5.5138564
• Molar Refractivity: 91.8635 cm^3
• Polarizability: 37.020653 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds