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(S)-7-Hydroxy-4,4-dimethyl-7-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxymethyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-on

View entire compound with spectra: 1 MS (GC)

(S)-7-Hydroxy-4,4-dimethyl-7-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxymethyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-on
SpectraBase Compound ID 9RW3rBm1gz4
InChI InChI=1S/C19H30O8/c1-18(2)7-11(21)5-10-6-19(25,4-3-12(10)18)9-26-17-16(24)15(23)14(22)13(8-20)27-17/h5,12-17,20,22-25H,3-4,6-9H2,1-2H3/t12?,13-,14-,15+,16-,17-,19+/m1/s1
InChIKey SWGGTUZFSFFJJQ-VKNASUSZSA-N
Mol Weight 386.44 g/mol
Molecular Formula C19H30O8
Exact Mass 386.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Y2fqXawXeT
Name (S)-7-Hydroxy-4,4-dimethyl-7-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxymethyl)-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-on
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O8
InChI InChI=1S/C19H30O8/c1-18(2)7-11(21)5-10-6-19(25,4-3-12(10)18)9-26-17-16(24)15(23)14(22)13(8-20)27-17/h5,12-17,20,22-25H,3-4,6-9H2,1-2H3/t12?,13-,14-,15+,16-,17-,19+/m1/s1
InChIKey SWGGTUZFSFFJJQ-VKNASUSZSA-N
Molecular Weight 386.441 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(OC[C@]1(CC=2C(C(CC(C2)=O)(C)C)CC1)O)[H])(CO)[H])[H]
SPLASH splash10-052e-0930000000-a416c6b33a4932d6ae6d
Source of Spectrum F-65-4146-1
Synonyms Neosedumoside I
Wiley ID 1680634