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Benzoic acid, 5-[3,4-dihydro-7-(phenylmethoxy)-2H-1-benzopyran-3-yl]-2-methoxy-4-(phenylmethoxy)-, 2-[[4-methoxy-2-(phenylmethoxy)phenyl]acetyl]-5-(phenylmethoxy)phenyl ester, (S)-
SpectraBase Compound ID 2rPQ8R06sDg
InChI InChI=1S/C60H52O10/c1-63-47-28-26-45(55(35-47)67-39-43-20-11-5-12-21-43)33-54(61)51-30-27-46(32-53(51)59(62)69-50-25-15-24-48(34-50)65-37-41-16-7-3-8-17-41)57-58(68-40-44-22-13-6-14-23-44)52-31-29-49(36-56(52)70-60(57)64-2)66-38-42-18-9-4-10-19-42/h3-32,34-36,57-58,60H,33,37-40H2,1-2H3
InChIKey XFQGUBJKUGPKLP-UHFFFAOYSA-N
Mol Weight 933.1 g/mol
Molecular Formula C60H52O10
Exact Mass 932.356048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7crE0HrDvUo
Name Benzoic acid, 5-[3,4-dihydro-7-(phenylmethoxy)-2H-1-benzopyran-3-yl]-2-methoxy-4-(phenylmethoxy)-, 2-[[4-methoxy-2-(phenylmethoxy)phenyl]acetyl]-5-(phenylmethoxy)phenyl ester, (S)-
CAS Registry Number 116718-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H52O10
InChI InChI=1S/C60H52O10/c1-63-47-28-26-45(55(35-47)67-39-43-20-11-5-12-21-43)33-54(61)51-30-27-46(32-53(51)59(62)69-50-25-15-24-48(34-50)65-37-41-16-7-3-8-17-41)57-58(68-40-44-22-13-6-14-23-44)52-31-29-49(36-56(52)70-60(57)64-2)66-38-42-18-9-4-10-19-42/h3-32,34-36,57-58,60H,33,37-40H2,1-2H3
InChIKey XFQGUBJKUGPKLP-UHFFFAOYSA-N
Molecular Weight 933.066 g/mol
SMILES C1(C(c2ccc(cc2OC1OC)OCc1ccccc1)OCc1ccccc1)c1cc(C(Oc2cc(OCc3ccccc3)ccc2)=O)c(cc1)C(Cc1c(cc(cc1)OC)OCc1ccccc1)=O
SPLASH splash10-0pbc-1920000000-7df7c8d59832d951f6da
Source of Spectrum KC-1988-1233-24
Synonyms 3-(benzyloxy)phenyl 2-{2-[2-(benzyloxy)-4-methoxyphenyl]acetyl}-5-[4,7-bis(benzyloxy)-2-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]benzoate 5-Benzyloxy-2-[2-(2-benzyloxy-4-methoxyphenyl)acetyl]-phenyl-(3S)-6,7-dibenzyloxy-4'-methoxyisoflavan-3'-carboxylate
Wiley ID 1418183