| SpectraBase Compound ID | 9XQLkbeCxCK |
|---|---|
| InChI | InChI=1S/C42H64O16/c1-23(43)31-20-28-16-25(17-34(46)53-10)36(48)42(51,58-28)39(5,6)12-11-27-13-24(15-33(45)52-9)14-30(54-27)22-41(50)40(7,8)32(56-37(49)38(2,3)4)21-29(57-41)18-26(44)19-35(47)55-31/h11-12,15,17,23,26-32,36,43-44,48,50-51H,13-14,16,18-22H2,1-10H3/b12-11+,24-15-,25-17- |
| InChIKey | HHANMGRRDYCISA-ZDENURTNSA-N |
| Mol Weight | 825.0 g/mol |
| Molecular Formula | C42H64O16 |
| Exact Mass | 824.419436 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9DmSpDgAPGi |
|---|---|
| Name | Bryostatin 14 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H64O16 |
| InChI | InChI=1S/C42H64O16/c1-23(43)31-20-28-16-25(17-34(46)53-10)36(48)42(51,58-28)39(5,6)12-11-27-13-24(15-33(45)52-9)14-30(54-27)22-41(50)40(7,8)32(56-37(49)38(2,3)4)21-29(57-41)18-26(44)19-35(47)55-31/h11-12,15,17,23,26-32,36,43-44,48,50-51H,13-14,16,18-22H2,1-10H3/b12-11+,24-15-,25-17- |
| InChIKey | HHANMGRRDYCISA-ZDENURTNSA-N |
| Molecular Weight | 824.958 g/mol |
| SMILES | OC(C1OC(CC(CC2CC(C(C(CC3C\C(CC(\C=C\C(C4(C(\C(CC(C1)O4)=C/C(OC)=O)O)O)(C)C)O3)=C\C(OC)=O)(O2)O)(C)C)OC(C(C)(C)C)=O)O)=O)C |
| SPLASH | splash10-00dr-0000000910-0fb89478ef67c0b531dc |
| Source of Spectrum | F-47-3608-14 |
| Wiley ID | 1417477 |