910133-34-5
(1R,4R,E)-4-((1R,3AS,7AR,E)-4-((E)-2-((3S,5R)-3,5-BIS(TERT-BUTYLDIMETHYLSILYLOXY)-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYLOCTAHYDRO-1H-INDEN-1-YL)-1-CYCLOPROPYLPENT-2-EN-1-OL
Name(1R,4R,E)-4-((1R,3AS,7AR,E)-4-((E)-2-((3S,5R)-3,5-BIS(TERT-BUTYLDIMETHYLSILYLOXY)-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYLOCTAHYDRO-1H-INDEN-1-YL)-1-CYCLOPROPYLPENT-2-EN-1-OL
1Identification
【Name】
(1R,4R,E)-4-((1R,3AS,7AR,E)-4-((E)-2-((3S,5R)-3,5-BIS(TERT-BUTYLDIMETHYLSILYLOXY)-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYLOCTAHYDRO-1H-INDEN-1-YL)-1-CYCLOPROPYLPENT-2-EN-1-OL
【CAS】
【MDL】
MFCD19443229
【English Synonyms】
【Formula】
C39 H68 O3 Si2
【MolWeight】
641.135
【Inchi】
InChI=1S/C39H68O3Si2/c1-27(16-23-35(40)30-18-19-30)33-21-22-34-29(15-14-24-39(33,34)9)17-20-31-25-32(41-43(10,11)37(3,4)5)26-36(28(31)2)42-44(12,13)38(6,7)8/h16-17,20,23,27,30,32-36,40H,2,14-15,18-19,21-22,24-26H2,1,3-13H3/b23-16+,29-17+,31-20+/t27-,32-,33-,34+,35+,36+,39-/m1/s1
【InChIKey】
InChIKey=DIMYHZDULFSWLS-VWACUKSJSA-N
【SMILES】
C[C@H](/C=C/[C@@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
【MOL File】
(1R,4R,E)-4-((1R,3AS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:14.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1R,4R,E)-4-((1R,3AS,7AR,E)-4-((E)-2-((3S,5R)-3,5-BIS(TERT-BUTYLDIMETHYLSILYLOXY)-2-METHYLENECYCLOHEXYLIDENE)ETHYLIDENE)-7A-METHYLOCTAHYDRO-1H-INDEN-1-YL)-1-CYCLOPROPYLPENT-2-EN-1-OL.cml