(2S,5S)-2,14,14-trimethylspiro[tetracyclo[8.7.0.02,7.011,15]heptadecane-5,2'-thiiran]-11(15)-ene

• ChemBase ID: 182677
• Molecular Formular: C21H32S
• Molecular Mass: 316.54378
• Monoisotopic Mass: 316.22247202
• SMILES: C12=C(C(CC2)(C)C)CCC2[C@@]3(C(C[C@@]4(SC4)CC3)CCC12)C
• Canonical SMILES: C[C@]12CC[C@]3(CC1CCC1C2CCC2=C1CCC2(C)C)CS3
• InChI: InChI=1S/C21H32S/c1-19(2)9-8-16-15-5-4-14-12-21(13-22-21)11-10-20(14,3)18(15)7-6-17(16)19/h14-15,18H,4-13H2,1-3H3/t14?,15?,18?,20-,21-/m0/s1
• InChIKey: DIUZTQQXMLPAQB-AQSYEMKLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,5S)-2,14,14-trimethylspiro[tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-5,2'-thiiran]-11(15)-ene
• IUPAC Traditional name: (2S,5S)-2,14,14-trimethylspiro[tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecane-5,2'-thiiran]-11(15)-ene

Database IDs

• PubChem SID: 164238587
• PubChem CID: 16395506

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1957307
• LogD (pH = 7.4): 5.1957307
• Log P: 5.1957307
• Molar Refractivity: 97.1495 cm^3
• Polarizability: 38.63181 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