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Broussonetine H [2.beta.-Hydroxymethyl-3.alpha.,4.beta.-dihydroxy-5.alpha.-(1-hydroxy-5:9;9:13-diepoxytridecyl)pyrrolidine]
SpectraBase Compound ID HmrxNZzhQCG
InChI InChI=1S/C18H33NO6/c20-11-13-16(22)17(23)15(19-13)14(21)7-3-5-12-6-4-9-18(25-12)8-1-2-10-24-18/h12-17,19-23H,1-11H2/t12?,13-,14?,15-,16-,17-,18?/m1/s1
InChIKey LIWCKHSHUMELES-KZZQWINHSA-N
Mol Weight 359.5 g/mol
Molecular Formula C18H33NO6
Exact Mass 359.230788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48nXACTVE4f
Name Broussonetine H [2.beta.-Hydroxymethyl-3.alpha.,4.beta.-dihydroxy-5.alpha.-(1-hydroxy-5:9;9:13-diepoxytridecyl)pyrrolidine]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33NO6
InChI InChI=1S/C18H33NO6/c20-11-13-16(22)17(23)15(19-13)14(21)7-3-5-12-6-4-9-18(25-12)8-1-2-10-24-18/h12-17,19-23H,1-11H2/t12?,13-,14?,15-,16-,17-,18?/m1/s1
InChIKey LIWCKHSHUMELES-KZZQWINHSA-N
Molecular Weight 359.463 g/mol
SMILES N1[C@@]([C@@](O)([C@@]([C@]1(C(O)CCCC1OC2(OCCCC2)CCC1)[H])(O)[H])[H])(CO)[H]
SPLASH splash10-001i-0912000000-dbe03b2e847b74f1f3a0
Source of Spectrum E2-46-1050-2
Synonyms (2R,3R,4R,5R)-2-[4-(1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4R,5R)-2-[4-(1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxy-butyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol (2R,3R,4R,5R)-2-[4-(1,7-dioxaspiro[5.5]undecan-2-yl)-1-oxidanyl-butyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
Wiley ID 1554548