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(1R,2S,3R,4S,5S,6S)-3-O-Acetyl-1,2-di-O-benzyl-6-benzyloxymethyl-1,2,3,4,5-cyclohexanpentanol
SpectraBase Compound ID Lvkq3BAEirW
InChI InChI=1S/C30H34O7/c1-21(31)37-29-27(33)26(32)25(20-34-17-22-11-5-2-6-12-22)28(35-18-23-13-7-3-8-14-23)30(29)36-19-24-15-9-4-10-16-24/h2-16,25-30,32-33H,17-20H2,1H3/t25-,26-,27-,28+,29+,30-/m0/s1
InChIKey XBJSLMOTERJXPO-BJSMOIIYSA-N
Mol Weight 506.6 g/mol
Molecular Formula C30H34O7
Exact Mass 506.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIZOq7P2ScJ
Name (1R,2S,3R,4S,5S,6S)-3-O-Acetyl-1,2-di-O-benzyl-6-benzyloxymethyl-1,2,3,4,5-cyclohexanpentanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34O7
InChI InChI=1S/C30H34O7/c1-21(31)37-29-27(33)26(32)25(20-34-17-22-11-5-2-6-12-22)28(35-18-23-13-7-3-8-14-23)30(29)36-19-24-15-9-4-10-16-24/h2-16,25-30,32-33H,17-20H2,1H3/t25-,26-,27-,28+,29+,30-/m0/s1
InChIKey XBJSLMOTERJXPO-BJSMOIIYSA-N
Molecular Weight 506.595 g/mol
SMILES O[C@@]1([C@]([C@]([C@@]([C@]([C@@]1(O)[H])(COCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9002000000-10cbe3c94402060ff567
Source of Spectrum QE-2-56-59
Synonyms (1R,2S,3R,4S,5S,6S)-2,3-bis(benzyloxy)-4-[(benzyloxy)methyl]-5,6-dihydroxycyclohexyl acetate Acetic acid 2,3-bis-benzyloxy-4-benzyloxymethyl-5,6-dihydroxy-cyclohexyl ester
Wiley ID 842564