| SpectraBase Compound ID | GkbChbL2q7r |
|---|---|
| InChI | InChI=1S/C46H68BO14.Na/c1-29-23-25-39-33(5)37(50)27-35(48)21-17-13-10-8-12-16-20-32(4)55-44(53)42-46-30(2)24-26-40(57-46)34(6)38(51)28-36(49)22-18-14-9-7-11-15-19-31(3)54-43(52)41-45(29,56-39)60-47(58-41,59-42)61-46;/h7-14,29-36,39-42,48-49H,15-28H2,1-6H3;/q-1;+1/b11-7-,12-8+,13-10-,14-9+;/t29-,30-,31+,32+,33-,34-,35+,36+,39+,40+,41+,42+,45+,46+,47?;/m1./s1 |
| InChIKey | SDHWTVQPAMCPFR-WTZVVYLDSA-N |
| Mol Weight | 878.8 g/mol |
| Molecular Formula | C46H68BNaO14 |
| Exact Mass | 878.459981 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HHTsBTWYqLl |
|---|---|
| Name | Tartrolon B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H68BNaO14 |
| InChI | InChI=1S/C46H68BO14.Na/c1-29-23-25-39-33(5)37(50)27-35(48)21-17-13-10-8-12-16-20-32(4)55-44(53)42-46-30(2)24-26-40(57-46)34(6)38(51)28-36(49)22-18-14-9-7-11-15-19-31(3)54-43(52)41-45(29,56-39)60-47(58-41,59-42)61-46;/h7-14,29-36,39-42,48-49H,15-28H2,1-6H3;/q-1;+1/b11-7-,12-8+,13-10-,14-9+;/t29-,30-,31+,32+,33-,34-,35+,36+,39+,40+,41+,42+,45+,46+,47?;/m1./s1 |
| InChIKey | SDHWTVQPAMCPFR-WTZVVYLDSA-N |
| Molecular Weight | 878.836 g/mol |
| SMILES | [Na+].O[C@@]1(CC([C@]([C@]2(O[C@]3(O[B-]45O[C@]6(O[C@]([C@@](C(C[C@](CC\C=C\C=C/CC[C@@](OC([C@@]3(O5)[H])=O)(C)[H])(O)[H])=O)(C)[H])(CC[C@]6(C)[H])[H])[C@](C(O[C@](CC\C=C\C=C/CC1)(C)[H])=O)(O4)[H])[C@@](CC2)(C)[H])[H])(C)[H])=O)[H] |
| SPLASH | splash10-004i-0000000090-ce31e28860068d82b163 |
| Source of Spectrum | U-1994-288-2 |
| Synonyms | sodium (1R,2R,5S,8Z,10E,14S,17S,18S,21R,22R,26R,29S,32E,34Z,38S,41S,42S,45R)-14,38-dihydroxy-5,17,21,29,41,45-hexamethyl-3,16,27,40-tetraoxo-4,23,25,28,46,47,48,49-octaoxa-24-borahexacyclo[22.21.1.1(1,42).1(2,24).1(18,22).0(22,26)]nonatetraconta-8,10,32,34-tetraen-24-uide |
| Wiley ID | 765647 |