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Patridoid I

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Patridoid I
SpectraBase Compound ID HkNL8lixhr
InChI InChI=1S/C22H34O8/c1-12(2)7-17(24)28-11-15-20-16(26-5)9-14(10-23)19(20)22(30-21(15)27-6)29-18(25)8-13(3)4/h9,12-13,16,19,21-23H,7-8,10-11H2,1-6H3/t16-,19-,21-,22-/m1/s1
InChIKey LERLQQKAXDNEKW-JCXROGDPSA-N
Mol Weight 426.5 g/mol
Molecular Formula C22H34O8
Exact Mass 426.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3XySlfBuoI9
Name Patridoid I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O8
InChI InChI=1S/C22H34O8/c1-12(2)7-17(24)28-11-15-20-16(26-5)9-14(10-23)19(20)22(30-21(15)27-6)29-18(25)8-13(3)4/h9,12-13,16,19,21-23H,7-8,10-11H2,1-6H3/t16-,19-,21-,22-/m1/s1
InChIKey LERLQQKAXDNEKW-JCXROGDPSA-N
Molecular Weight 426.506 g/mol
SMILES OCC=1[C@]2([C@](OC(=O)CC(C)C)(O[C@](C(=C2[C@@](C1)(OC)[H])COC(=O)CC(C)C)(OC)[H])[H])[H]
SPLASH splash10-00sl-0960000000-d0de616581f95255bd2c
Source of Spectrum E2-51-584-1
Synonyms 3-Methylbutanoic acid [(1S,3R,5R,7aR)-7-(hydroxymethyl)-3,5-dimethoxy-1-(3-methyl-1-oxobutoxy)-1,3,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl ester [(1S,3R,5R,7aR)-7-(hydroxymethyl)-3,5-dimethoxy-1-(3-methylbutanoyloxy)-1,3,5,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
Wiley ID 1556097