Stereochemistry | ABSOLUTE |
Molecular Formula | C46H78N2O15.C6H10O4 |
Molecular Weight | 1045.2571 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 19 / 19 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCCC(O)=O.[H][C@@]1(CC[C@@H]([C@H](C)O1)N(C)C)O[C@H]2\C=C\C=C\C[C@@H](C)OC(=O)C[C@@H](OC(=O)CC)[C@H](OC)[C@@H](O[C@]3([H])O[C@H](C)[C@@H](O[C@@]4([H])C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C)[C@@H](CC=O)C[C@H]2C
InChI
InChIKey=GAMOFVGOAOXHJV-QIDKPHOGSA-N
InChI=1S/C46H78N2O15.C6H10O4/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38;7-5(8)3-1-2-4-6(9)10/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3;1-4H2,(H,7,8)(H,9,10)/b15-14+,18-16+;/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-;/m1./s1
Molecular Formula | C46H78N2O15 |
Molecular Weight | 899.1159 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 19 / 19 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C6H10O4 |
Molecular Weight | 146.1412 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |