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Decanoic acid, 10-(benzoyloxy)-5-hydroxy-4,6-dimethoxy-2,8-dimethyl-, methyl ester, [2R-(2R*,4S*,5R*,6S*,8S*)]-
SpectraBase Compound ID 2yLiMJU2jO1
InChI InChI=1S/C22H34O7/c1-15(11-12-29-22(25)17-9-7-6-8-10-17)13-18(26-3)20(23)19(27-4)14-16(2)21(24)28-5/h6-10,15-16,18-20,23H,11-14H2,1-5H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey IRWQYFFFKSTYMK-HHUCQEJWSA-N
Mol Weight 410.5 g/mol
Molecular Formula C22H34O7
Exact Mass 410.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GhBXgZb5ER
Name Decanoic acid, 10-(benzoyloxy)-5-hydroxy-4,6-dimethoxy-2,8-dimethyl-, methyl ester, [2R-(2R*,4S*,5R*,6S*,8S*)]-
CAS Registry Number 118299-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O7
InChI InChI=1S/C22H34O7/c1-15(11-12-29-22(25)17-9-7-6-8-10-17)13-18(26-3)20(23)19(27-4)14-16(2)21(24)28-5/h6-10,15-16,18-20,23H,11-14H2,1-5H3/t15-,16+,18-,19-,20+/m0/s1
InChIKey IRWQYFFFKSTYMK-HHUCQEJWSA-N
Molecular Weight 410.507 g/mol
SMILES O[C@@]([C@](C[C@](C(=O)OC)(C)[H])(OC)[H])([C@](C[C@](CCOC(=O)c1ccccc1)(C)[H])(OC)[H])[H]
SPLASH splash10-0002-9500000000-438b9b24d627cc6f12c7
Source of Spectrum J-55-2784-34
Synonyms (3S,5S,6R,7S,9R)-6-hydroxy-5,7,10-trimethoxy-3,9-dimethyl-10-oxodecyl benzoate [2R-(2R*,4S*,5R*,6S*,8S*)]-10-(benzoyloxy)-5-hydroxy-4,6-dimethoxy-2,8-dimethyldecanoic acid methyl ester
Wiley ID 1373629