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Yamataimine methylthiomethyl ether
SpectraBase Compound ID ERkJgqZ3nAz
InChI InChI=1S/C20H31NO5S/c1-5-14-10-13(2)20(3,25-12-27-4)19(23)24-11-15-6-8-21-9-7-16(17(15)21)26-18(14)22/h6,13-14,16-17H,5,7-12H2,1-4H3/t13-,14+,16-,17-,20+/m1/s1
InChIKey JPLJNSOWTRLYSC-AENLNBOZSA-N
Mol Weight 397.53 g/mol
Molecular Formula C20H31NO5S
Exact Mass 397.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AlcJZDqGQe
Name Yamataimine methylthiomethyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31NO5S
InChI InChI=1S/C20H31NO5S/c1-5-14-10-13(2)20(3,25-12-27-4)19(23)24-11-15-6-8-21-9-7-16(17(15)21)26-18(14)22/h6,13-14,16-17H,5,7-12H2,1-4H3/t13-,14+,16-,17-,20+/m1/s1
InChIKey JPLJNSOWTRLYSC-AENLNBOZSA-N
Molecular Weight 397.530 g/mol
SMILES C1(O[C@@]2(CCN3[C@@]2(C(COC([C@]([C@@](C[C@@]1(CC)[H])(C)[H])(OCSC)C)=O)=CC3)[H])[H])=O
SPLASH splash10-00dr-0902000000-97057d63b12f6b9678bf
Source of Spectrum AJ-67-3098-16
Synonyms (12beta,13alpha,15beta)-12-[(methylsulfanyl)methoxy]-15,20-dihydrosenecionan-11,16-dione
Wiley ID 772834