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.alpha.-D-Glucopyranoside, methyl 2,3-O-[3,12-bis(ethoxycarbonyl)-6,9-dioxa-3,12-diazatetradecane-1,14- diyl]-4,6-O-(phenylmethylene)-
SpectraBase Compound ID 81QvnAejyKY
InChI InChI=1S/C30H46N2O12/c1-4-38-29(33)31-11-15-36-19-20-37-16-12-32(30(34)39-5-2)14-18-41-26-25(40-17-13-31)24-23(43-28(26)35-3)21-42-27(44-24)22-9-7-6-8-10-22/h6-10,23-28H,4-5,11-21H2,1-3H3/t23-,24-,25+,26-,27?,28+/m1/s1
InChIKey AHNAMVCPIYKIKW-GUONBBAESA-N
Mol Weight 626.7 g/mol
Molecular Formula C30H46N2O12
Exact Mass 626.305075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Banp1ZPJF1J
Name .alpha.-D-Glucopyranoside, methyl 2,3-O-[3,12-bis(ethoxycarbonyl)-6,9-dioxa-3,12-diazatetradecane-1,14- diyl]-4,6-O-(phenylmethylene)-
CAS Registry Number 95120-39-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46N2O12
InChI InChI=1S/C30H46N2O12/c1-4-38-29(33)31-11-15-36-19-20-37-16-12-32(30(34)39-5-2)14-18-41-26-25(40-17-13-31)24-23(43-28(26)35-3)21-42-27(44-24)22-9-7-6-8-10-22/h6-10,23-28H,4-5,11-21H2,1-3H3/t23-,24-,25+,26-,27?,28+/m1/s1
InChIKey AHNAMVCPIYKIKW-GUONBBAESA-N
Molecular Weight 626.700 g/mol
SMILES [C@@]12([C@]3([C@@](OCCN(C(=O)OCC)CCOCCOCCN(C(=O)OCC)CCO3)([C@](O[C@@]1(COC(O2)c1ccccc1)[H])(OC)[H])[H])[H])[H]
SPLASH splash10-0159-0910000000-b9a6aa7916d7437d05d2
Source of Spectrum F-40-2968-0
Synonyms 8H,17H-1,3-dioxino[4',5':5,6]pyrano[3,4-b][1,4,10,13,7,16]tetraoxadiazacyclooctadecine, .alpha.-D-glucopyranoside deriv. Diethyl (4aR,6S,6aR,22aS,22bR)-6-methoxy-2-phenylhexadecahydro-10H,19H-[1,3]dioxino[4',5':5,6]pyrano[3,4-b][1,4,10,13,7,16]tetraoxadiazacyclooctadecine-10,19-dicarboxylate N,N'-bis(ethoxycarbonyl)diaza-crown ether
Wiley ID 1411869