SpectraBase Compound ID | 5fKdWE5Lndg |
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InChI | InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12?,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1 |
InChIKey | GYOGHROCTSEKDY-KTXLLKDXSA-N |
Mol Weight | 375.5 g/mol |
Molecular Formula | C22H33NO4 |
Exact Mass | 375.240959 g/mol |
SpectraBase Spectrum ID | Dqv451JiLws |
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Name | Tuberostemonine |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C22H33NO4 |
InChI | InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12?,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1 |
InChIKey | GYOGHROCTSEKDY-KTXLLKDXSA-N |
Molecular Weight | 375.509 g/mol |
SMILES | [C@]12(N3CCCC[C@@]1([C@]([C@@]1(OC(C([C@@]1([C@@]2([H])C[C@]3([C@]1(OC(=O)[C@](C1)(C)[H])[H])[H])[H])C)=O)[H])(CC)[H])[H])[H] |
SPLASH | splash10-004i-0092000000-3cd6e7bd5c25989856eb |
Source of Spectrum | C-127-234-26 |
Wiley ID | 1701687 |