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(4R,5R)-4,5-Dibenzyloxyhept-6-enoic acid (1'S,1"S)-1'-(1"-benzyloxyheptyl)-3'-butenyl ester
SpectraBase Compound ID Kv9xHyHLu2O
InChI InChI=1S/C39H50O5/c1-4-7-8-18-26-36(42-30-33-22-14-10-15-23-33)38(19-5-2)44-39(40)28-27-37(43-31-34-24-16-11-17-25-34)35(6-3)41-29-32-20-12-9-13-21-32/h5-6,9-17,20-25,35-38H,2-4,7-8,18-19,26-31H2,1H3/t35-,36+,37-,38+/m1/s1
InChIKey BXZBKFYHDLQRSR-UYFSSDKWSA-N
Mol Weight 598.8 g/mol
Molecular Formula C39H50O5
Exact Mass 598.365825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88Kg23knyQI
Name (4R,5R)-4,5-Dibenzyloxyhept-6-enoic acid (1'S,1"S)-1'-(1"-benzyloxyheptyl)-3'-butenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H50O5
InChI InChI=1S/C39H50O5/c1-4-7-8-18-26-36(42-30-33-22-14-10-15-23-33)38(19-5-2)44-39(40)28-27-37(43-31-34-24-16-11-17-25-34)35(6-3)41-29-32-20-12-9-13-21-32/h5-6,9-17,20-25,35-38H,2-4,7-8,18-19,26-31H2,1H3/t35-,36+,37-,38+/m1/s1
InChIKey BXZBKFYHDLQRSR-UYFSSDKWSA-N
Molecular Weight 598.824 g/mol
SMILES C(O[C@]([C@@](OCc1ccccc1)(CCCCCC)[H])(CC=C)[H])(=O)CC[C@@](OCc1ccccc1)([C@](OCc1ccccc1)(C=C)[H])[H]
SPLASH splash10-0006-9310000000-1cd371015a1bc795646f
Source of Spectrum KC-61-4434-13
Synonyms (1S)-1-[(1S)-1-(benzyloxy)heptyl]-3-butenyl (4R,5R)-4,5-bis(benzyloxy)-6-heptenoate (4R,5R)-4,5-bis(phenylmethoxy)-6-heptenoic acid[(4S,5S)-5-phenylmethoxyundec-1-en-4-yl]ester (4R,5R)-4,5-dibenzoxyhept-6-enoic acid[(1S)-1-[(1S)-1-benzoxyheptyl]but-3-enyl]ester [(1S,2S)-1-allyl-2-benzyloxy-octyl](4R,5R)-4,5-dibenzyloxyhept-6-enoate [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl](4R,5R)-4,5-bis(phenylmethoxy)hept-6-enoate (4R,5R)-4,5-bis(phenylmethoxy)-6-heptenoic acid [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] ester [(1S,2S)-1-allyl-2-benzyloxy-octyl] (4R,5R)-4,5-dibenzyloxyhept-6-enoate [(4S,5S)-5-phenylmethoxyundec-1-en-4-yl] (4R,5R)-4,5-bis(phenylmethoxy)hept-6-enoate
Wiley ID 1629037