SpectraBase Compound ID | CNDfQgvPjlG |
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InChI | InChI=1S/C25H42N2O7/c1-6-27-10-22(11-31-2)13(28)7-14(32-3)25-12-8-24(30)15(33-4)9-23(26,16(12)21(24)29)17(20(25)27)18(34-5)19(22)25/h12-21,28-30H,6-11,26H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+,25+/m1/s1 |
InChIKey | ZWUFSCXXMINYCW-DCQLVONUSA-N |
Mol Weight | 482.6 g/mol |
Molecular Formula | C25H42N2O7 |
Exact Mass | 482.299202 g/mol |
SpectraBase Spectrum ID | 9heFDThb1fU |
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Name | Hemsleyatine |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C25H42N2O7 |
InChI | InChI=1S/C25H42N2O7/c1-6-27-10-22(11-31-2)13(28)7-14(32-3)25-12-8-24(30)15(33-4)9-23(26,16(12)21(24)29)17(20(25)27)18(34-5)19(22)25/h12-21,28-30H,6-11,26H2,1-5H3/t12-,13-,14+,15+,16-,17+,18+,19-,20-,21-,22+,23-,24+,25+/m1/s1 |
InChIKey | ZWUFSCXXMINYCW-DCQLVONUSA-N |
Molecular Weight | 482.618 g/mol |
SMILES | O[C@]1([C@@]2([C@@]3([C@@]4([C@@]([C@@]([C@]5(C[C@@]([C@@]6([C@@]([C@]5([C@]4(C6)[H])[H])(O)[H])O)(OC)[H])N)([C@@]3(OC)[H])[H])(N(C2)CC)[H])[C@](C1)(OC)[H])[H])COC)[H] |
SPLASH | splash10-0udi-2000900000-c7a9d8df9d412f7c8453 |
Source of Spectrum | E2-51-594-1 |
Wiley ID | 1556095 |