| SpectraBase Compound ID | 8Bb2XfxM1Qp |
|---|---|
| InChI | InChI=1S/C42H76O9/c1-7-8-9-10-11-12-13-14-15-16-17-21-24-39-40(51-42(3,4)50-39)28-27-37(47-32-45-6)38-26-25-35(49-38)22-19-18-20-23-36(46-31-44-5)30-34-29-33(2)48-41(34)43/h29,33,35-40H,7-28,30-32H2,1-6H3/t33-,35?,36?,37?,38?,39+,40-/m0/s1 |
| InChIKey | BHNXBFLYNAAUES-RAPPBNNHSA-N |
| Mol Weight | 725.1 g/mol |
| Molecular Formula | C42H76O9 |
| Exact Mass | 724.548934 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9AqtSVzDQ8u |
|---|---|
| Name | Bis(methoxymethoxy)(isopropylidenedioxy)gigantetrocin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H76O9 |
| InChI | InChI=1S/C42H76O9/c1-7-8-9-10-11-12-13-14-15-16-17-21-24-39-40(51-42(3,4)50-39)28-27-37(47-32-45-6)38-26-25-35(49-38)22-19-18-20-23-36(46-31-44-5)30-34-29-33(2)48-41(34)43/h29,33,35-40H,7-28,30-32H2,1-6H3/t33-,35?,36?,37?,38?,39+,40-/m0/s1 |
| InChIKey | BHNXBFLYNAAUES-RAPPBNNHSA-N |
| Molecular Weight | 725.061 g/mol |
| SMILES | C=1(C(O[C@](C1)(C)[H])=O)CC(OCOC)CCCCCC1OC(C(CC[C@@]2(OC(C)(C)O[C@@]2(CCCCCCCCCCCCCC)[H])[H])OCOC)CC1 |
| SPLASH | splash10-0udi-0000930000-92d1b8bb1952bba5dbdc |
| Source of Spectrum | QC-10-670-24 |
| Wiley ID | 871096 |