| SpectraBase Compound ID | 9rH0di4dYbU |
|---|---|
| InChI | InChI=1S/C27H39NO9/c1-6-28-10-25(11-29)17(32)8-18(33)27-15-7-14-16(34-4)9-26(37-13(3)31,19(15)21(14)36-12(2)30)20(24(27)28)22(35-5)23(25)27/h11,14-24,32-33H,6-10H2,1-5H3/t14?,15?,16-,17+,18-,19?,20?,21-,22-,23?,24?,25-,26+,27?/m0/s1 |
| InChIKey | KIYILHWSTAQRSR-ZLBWGQEDSA-N |
| Mol Weight | 521.6 g/mol |
| Molecular Formula | C27H39NO9 |
| Exact Mass | 521.262482 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HtGuvGhUfRR |
|---|---|
| Name | Staphisadrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H39NO9 |
| InChI | InChI=1S/C27H39NO9/c1-6-28-10-25(11-29)17(32)8-18(33)27-15-7-14-16(34-4)9-26(37-13(3)31,19(15)21(14)36-12(2)30)20(24(27)28)22(35-5)23(25)27/h11,14-24,32-33H,6-10H2,1-5H3/t14?,15?,16-,17+,18-,19?,20?,21-,22-,23?,24?,25-,26+,27?/m0/s1 |
| InChIKey | KIYILHWSTAQRSR-ZLBWGQEDSA-N |
| Molecular Weight | 521.607 g/mol |
| SMILES | O[C@]1(C[C@]([C@@]2(C3C11C4C5[C@@](C(C1N(C2)CC)[C@@]3(OC)[H])(C[C@@](C(C4)[C@@]5(OC(=O)C)[H])(OC)[H])OC(=O)C)C=O)(O)[H])[H] |
| SPLASH | splash10-0006-9000000000-b539be6fb96dfa92729e |
| Source of Spectrum | X2-53-1310-1 |
| Wiley ID | 1603757 |