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Benzamide, N-[9-[4-[(benzoyloxy)methyl]-3-hydroxy-2-(phenylmethoxy)cyclopentyl]-9H-purin-6-yl]-, [1R-(1.alpha.,2.beta.,3.beta.,4.alpha.)]-
SpectraBase Compound ID JFCqcVcZim4
InChI InChI=1S/C32H29N5O5/c38-27-24(18-42-32(40)23-14-8-3-9-15-23)16-25(28(27)41-17-21-10-4-1-5-11-21)37-20-35-26-29(33-19-34-30(26)37)36-31(39)22-12-6-2-7-13-22/h1-15,19-20,24-25,27-28,38H,16-18H2,(H,33,34,36,39)/t24-,25-,27-,28+/m0/s1
InChIKey LPXGJWNQXDKNSU-DNZWLJDLSA-N
Mol Weight 563.6 g/mol
Molecular Formula C32H29N5O5
Exact Mass 563.216869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5h7dkJe0Aw1
Name Benzamide, N-[9-[4-[(benzoyloxy)methyl]-3-hydroxy-2-(phenylmethoxy)cyclopentyl]-9H-purin-6-yl]-, [1R-(1.alpha.,2.beta.,3.beta.,4.alpha.)]-
Alternate Name(s) 7'-[2-phenyoxy-3-hydroxyl-4-(benzyoxy-methyl)cyclopentene]-4'-benzyamino-purine [(1S,2S,3R,4S)-4-[6-(benzoylamino)-9H-purin-9-yl]-3-(benzyloxy)-2-hydroxycyclopentyl]methyl benzoate
CAS Registry Number 131603-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29N5O5
InChI InChI=1S/C32H29N5O5/c38-27-24(18-42-32(40)23-14-8-3-9-15-23)16-25(28(27)41-17-21-10-4-1-5-11-21)37-20-35-26-29(33-19-34-30(26)37)36-31(39)22-12-6-2-7-13-22/h1-15,19-20,24-25,27-28,38H,16-18H2,(H,33,34,36,39)/t24-,25-,27-,28+/m0/s1
InChIKey LPXGJWNQXDKNSU-DNZWLJDLSA-N
Molecular Weight 563.614 g/mol
SMILES N(c1c2c([n]([C@@]3([C@]([C@]([C@@](C3)(COC(=O)c3ccccc3)[H])(O)[H])(OCc3ccccc3)[H])[H])cn2)ncn1)C(=O)c1ccccc1
SPLASH splash10-052u-4902000000-30f88e6ee1c5f544ab48
Source of Spectrum F-46-7468-23
Wiley ID 1407045