(2S,5S,14S,15S)-2,14,15-trimethylspiro[tetracyclo[8.7.0.02,7.011,15]heptadecane-5,2'-thiirane]-14-ol

• ChemBase ID: 181077
• Molecular Formular: C21H34OS
• Molecular Mass: 334.55906
• Monoisotopic Mass: 334.23303671
• SMILES: [C@@]12(C(C3C([C@@]4(C(C[C@@]5(SC5)CC4)CC3)C)CC2)CC[C@@]1(O)C)C
• Canonical SMILES: C[C@]12CC[C@]3(CC1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)CS3
• InChI: InChI=1S/C21H34OS/c1-18-10-11-21(13-23-21)12-14(18)4-5-15-16(18)6-8-19(2)17(15)7-9-20(19,3)22/h14-17,22H,4-13H2,1-3H3/t14?,15?,16?,17?,18-,19-,20-,21-/m0/s1
• InChIKey: NHSADEZTTCEMTD-RZVKDUKPSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236987
• PubChem CID: 16395123

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.4077144
• LogD (pH = 7.4): 4.4077144
• Log P: 4.4077144
• Molar Refractivity: 98.1712 cm^3
• Polarizability: 39.458164 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds