(1R,12R,17S,28R,33S,44S)-51,54,57-TRITHIAHEPTACYCLO[42.4.2.2(12,17).2(28,33).1(1,44).1(12,17).1(28,33)]HEPTAPENTACONTANE 51,51,54,54,57,57-HEXAOXIDE

CAS No.
CCD No.
CCD08236408
Formula
C54 H96 O6 S3
MolWeight
937.544

Basic Information

Product Name: (1R,12R,17S,28R,33S,44S)-51,54,57-TRITHIAHEPTACYCLO[42.4.2.2(12,17).2(28,33).1(1,44).1(12,17).1(28,33)]HEPTAPENTACONTANE 51,51,54,54,57,57-HEXAOXIDE
English Synonyms: (1R,12R,17S,28R,33S,44S)-51,54,57-TRITHIAHEPTACYCLO[42.4.2.2(12,17).2(28,33).1(1,44).1(12,17).1(28,33)]HEPTAPENTACONTANE 51,51,54,54,57,57-HEXAOXIDE
MDL Number.: MFCD10570067
H bond acceptor: 6
H bond donor: 0
Smile: C1CCCCC[C@]23CCCC[C@@](S2(=O)=O)(CCCCCCCCCC[C@@]45CCCC[C@](S4(=O)=O)(CCCCCCCCCC[C@@]67CCCC[C@](S6(=O)=O)(CCCC1)CC7)CC5)CC3
InChi: InChI=1S/C54H96O6S3/c55-61(56)49-31-19-13-7-1-2-8-14-20-32-50-38-27-28-40-52(46-45-50,62(50,57)58)34-22-16-10-5-6-12-18-24-36-54-42-30-29-41-53(47-48-54,63(54,59)60)35-23-17-11-4-3-9-15-21-33-51(61,44-43-49)39-26-25-37-49/h1-48H2/t49-,50-,51+,52+,53-,54+
InChiKey: InChIKey=RACTVJXRQGFQIY-IGAKBOABSA-N

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