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Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 9 results

Search term: MF = 'C_{45}H_{68}O_{15}'
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
130046

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29-,30-,31-,32-,33-,36+,37+,42-,43-,44+,45+/m0/s1
C45H68O15849.01248600
173309

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C45H68O15/c1-21(46)29-19-45(52)31-9-8-27-15-28(10-12-43(27,6)30(31)11-13-44(45,7)39(29)26-14-35(50)53-20-26)58-36-16-32(48)41(23(3)55-36)59-37-17-33(49)42(24(4)56-37)60-38-18-34(57-25(5)47)40(51)22(2)54-38/h14,22-24,27-34,36-42,48-49,51-52H,8-13,15-20H2,1-7H3/t22-,23-,24-,27-,28+,29?,30+,31-,32+,33+,34+,36+,37+,38+,39+,40-,41?,42-,43+,44-,45+/m1/s1
C45H68O15849.01243100
8231945

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C45H68O15/c1-26(2)35(47)54-33-32(55-42(15,16)52-17)43(24-23-27(3)31(53-29(5)46)28(4)25-30-21-19-18-20-22-30)56-34(36(48)57-39(6,7)8)44(51,37(49)58-40(9,10)11)45(33,60-43)38(50)59-41(12,13)14/h18-22,26,28,31-34,51H,3,23-25H2,1-2,4-17H3/t28?,31?,32-,33-,34-,43-,44-,45-/m1/s1
C45H68O15849.01242100
8254798

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H68O15/c1-23(2)35-21-54-44(22-53-35)19-31-16-30(60-44)14-13-25(4)40(24(3)11-10-12-29-20-52-42-38(46)26(5)15-32(43(48)57-31)45(29,42)49)58-37-18-34(51-9)41(28(7)56-37)59-36-17-33(50-8)39(47)27(6)55-36/h10-13,15,23-24,27-28,30-42,46-47,49H,14,16-22H2,1-9H3/b11-10+,25-13+,29-12+/t24-,27-,28-,30+,31-,32-,33-,34-,35-,36-,37-,38+,39-,40-,41-,42+,44+,45+/m0/s1
C45H68O15849.01242100
8526047

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28?,29?,30-,31-,32?,33?,36?,37?,42-,43-,44+,45+/m0/s1
C45H68O15849.01242100
8548799

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H68O15/c1-23(2)35-21-52-22-44(60-35)19-31-16-30(59-44)14-13-25(4)40(24(3)11-10-12-29-20-53-42-38(46)26(5)15-32(43(48)56-31)45(29,42)49)57-37-18-34(51-9)41(28(7)55-37)58-36-17-33(50-8)39(47)27(6)54-36/h10-13,15,23-24,27-28,30-42,46-47,49H,14,16-22H2,1-9H3/b11-10+,25-13+,29-12+/t24-,27-,28-,30+,31-,32-,33-,34-,35-,36-,37-,38+,39-,40-,41-,42+,44-,45+/m0/s1
C45H68O15849.01242100
8548800

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C45H68O15/c1-17-21-31(47)54-34-33(55-42(14,15)52-16)43(25-24-27(2)32(53-29(4)46)28(3)26-30-22-19-18-20-23-30)56-35(36(48)57-39(5,6)7)44(51,37(49)58-40(8,9)10)45(34,60-43)38(50)59-41(11,12)13/h18-20,22-23,28,32-35,51H,2,17,21,24-26H2,1,3-16H3/t28?,32?,33-,34-,35-,43-,44-,45-/m1/s1
C45H68O15849.01242100
10136196

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C45H68O15/c1-22-40(50)33(48)18-37(53-22)59-41-24(3)55-39(20-35(41)57-26(5)47)60-42-23(2)54-38(19-34(42)56-25(4)46)58-29-10-13-43(6)28(17-29)8-9-32-31(43)11-14-44(7)30(12-15-45(32,44)51)27-16-36(49)52-21-27/h16,22-24,28-35,37-42,48,50-51H,8-15,17-21H2,1-7H3/t22-,23-,24-,28-,29+,30-,31+,32-,33+,34+,35+,37+,38+,39+,40-,41-,42-,43+,44-,45+/m1/s1
C45H68O15849.01242100
78445752

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29?,30-,31-,32-,33-,36?,37?,42-,43-,44+,45+/m0/s1
C45H68O15849.01241100

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