Stereochemistry | ABSOLUTE |
Molecular Formula | C40H60BO14.Na |
Molecular Weight | 798.697 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 16 / 16 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12O[B-]34O[C@@]([H])(C(=O)O[C@H]5C[C@H](O[C@@H]5C)\C=C\C[C@@H](O)C(C)(C)[C@]6([H])CC[C@@H](C)[C@@]1(O3)O6)[C@]7(O4)O[C@@]([H])(CC[C@H]7C)C(C)(C)[C@H](O)C\C=C\[C@@H]8C[C@H](OC2=O)[C@@H](C)O8
InChI
InChIKey=GEIYDRPAWIMINR-ZDKANEFWSA-N
InChI=1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39+,40+,41?;/m1./s1
Molecular Formula | C40H59BO14 |
Molecular Weight | 774.699 |
Charge | -1 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 16 / 17 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |