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(+)-(3S,4R,7R,8R,9S)-3-Benzyloxycarbonylamino-7-n-butyl-4,9-dimethyl-1,5-dioxa-8-isobutylcarbonyloxycyclononane-2,6-dione

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(+)-(3S,4R,7R,8R,9S)-3-Benzyloxycarbonylamino-7-n-butyl-4,9-dimethyl-1,5-dioxa-8-isobutylcarbonyloxycyclononane-2,6-dione
SpectraBase Compound ID 2TBwUm45eSE
InChI InChI=1S/C26H37NO8/c1-6-7-13-20-23(35-21(28)14-16(2)3)18(5)34-25(30)22(17(4)33-24(20)29)27-26(31)32-15-19-11-9-8-10-12-19/h8-12,16-18,20,22-23H,6-7,13-15H2,1-5H3,(H,27,31)/t17-,18+,20-,22+,23+/m1/s1
InChIKey LUKIYEDUKKCJBL-XAZGASFZSA-N
Mol Weight 491.6 g/mol
Molecular Formula C26H37NO8
Exact Mass 491.251917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwwhRg580uc
Name (+)-(3S,4R,7R,8R,9S)-3-Benzyloxycarbonylamino-7-n-butyl-4,9-dimethyl-1,5-dioxa-8-isobutylcarbonyloxycyclononane-2,6-dione
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Formula C26H37NO8
InChI InChI=1S/C26H37NO8/c1-6-7-13-20-23(35-21(28)14-16(2)3)18(5)34-25(30)22(17(4)33-24(20)29)27-26(31)32-15-19-11-9-8-10-12-19/h8-12,16-18,20,22-23H,6-7,13-15H2,1-5H3,(H,27,31)/t17-,18+,20-,22+,23+/m1/s1
InChIKey LUKIYEDUKKCJBL-XAZGASFZSA-N
Molecular Weight 491.581 g/mol
SMILES N([C@@]1(C(O[C@]([C@@]([C@@](CCCC)(C(O[C@@]1(C)[H])=O)[H])(OC(=O)CC(C)C)[H])(C)[H])=O)[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-9122000000-ed19d1c418c802840616
Source of Spectrum F-48-7069-6
Synonyms (2R,3S,6S,7R,8R)-3-{[(benzyloxy)carbonyl]amino}-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate 3-Methylbutanoic acid[(2R,3S,6S,7R,8R)-8-butyl-2,6-dimethyl-4,9-dioxo-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl]ester 3-Methylbutyric acid[(2R,3S,6S,7R,8R)-3-(benzyloxycarbonylamino)-8-butyl-4,9-diketo-2,6-dimethyl-1,5-dioxonan-7-yl]ester [(2R,3S,6S,7R,8R)-8-butyl-2,6-dimethyl-4,9-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl]3-methylbutanoate [(2R,3S,6S,7R,8R)-8-butyl-2,6-dimethyl-4,9-dioxo-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl]3-methylbutanoate 3-Methylbutanoic acid [(2R,3S,6S,7R,8R)-8-butyl-2,6-dimethyl-4,9-dioxo-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl] ester [(2R,3S,6S,7R,8R)-8-butyl-2,6-dimethyl-4,9-dioxo-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl] 3-methylbutanoate [(2R,3S,6S,7R,8R)-3-(benzyloxycarbonylamino)-8-butyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate [(2R,3S,6S,7R,8R)-8-butyl-2,6-dimethyl-4,9-bis(oxidanylidene)-3-(phenylmethoxycarbonylamino)-1,5-dioxonan-7-yl] 3-methylbutanoate
Wiley ID 1397398