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N-[(2S,3S)-7-(1,3-dioxan-2-yl)-4-formyl-3,5-dihydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamic acid tert-butyl ester
SpectraBase Compound ID 1p1h2foRYGx
InChI InChI=1S/C21H26N2O7/c1-21(2,3)30-20(27)22-13-9-23-14-7-11(19-28-5-4-6-29-19)8-15(25)16(14)12(10-24)17(23)18(13)26/h7-8,10,13,18-19,25-26H,4-6,9H2,1-3H3,(H,22,27)/t13-,18-/m0/s1
InChIKey IMELRDPYKRUOIL-UGSOOPFHSA-N
Mol Weight 418.45 g/mol
Molecular Formula C21H26N2O7
Exact Mass 418.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SaConu7ii
Name N-[(2S,3S)-7-(1,3-dioxan-2-yl)-4-formyl-3,5-dihydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamic acid tert-butyl ester
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Formula C21H26N2O7
InChI InChI=1S/C21H26N2O7/c1-21(2,3)30-20(27)22-13-9-23-14-7-11(19-28-5-4-6-29-19)8-15(25)16(14)12(10-24)17(23)18(13)26/h7-8,10,13,18-19,25-26H,4-6,9H2,1-3H3,(H,22,27)/t13-,18-/m0/s1
InChIKey IMELRDPYKRUOIL-UGSOOPFHSA-N
Molecular Weight 418.446 g/mol
SMILES Oc1c2c([n]3c([C@]([C@](C3)(NC(=O)OC(C)(C)C)[H])(O)[H])c2C=O)cc(c1)C1OCCCO1
SPLASH splash10-0a4u-9001100000-ddde09ab08c20bd9aae1
Source of Spectrum E1-43-47-39
Synonyms N-[(2S,3S)-7-(1,3-dioxan-2-yl)-4-formyl-3,5-dihydroxy-2,3-dihydro-1H-pyrrol[1,2-a]indol-2-yl]carbamic acid tert-butyl ester tert-Butyl N-[(2S,3S)-7-(1,3-dioxan-2-yl)-4-formyl-3,5-dihydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate tert-Butyl N-[(2S,3S)-7-(1,3-dioxan-2-yl)-4-methanoyl-3,5-bis(oxidanyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate
Wiley ID 1552921