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Benzoic acid, 5-[3,4-dihydro-7-(phenylmethoxy)-2H-1-benzopyran-3-yl]-2-methoxy-4-(phenylmethoxy)-, methyl ester, (S)-
SpectraBase Compound ID I4cqwWM1HVq
InChI InChI=1S/C32H30O6/c1-34-30-18-31(37-20-23-11-7-4-8-12-23)27(17-28(30)32(33)35-2)25-15-24-13-14-26(16-29(24)38-21-25)36-19-22-9-5-3-6-10-22/h3-14,16-18,25H,15,19-21H2,1-2H3/t25-/m1/s1
InChIKey QRZNJTJISBJVHU-RUZDIDTESA-N
Mol Weight 510.6 g/mol
Molecular Formula C32H30O6
Exact Mass 510.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Vhvr7xhjXN
Name Benzoic acid, 5-[3,4-dihydro-7-(phenylmethoxy)-2H-1-benzopyran-3-yl]-2-methoxy-4-(phenylmethoxy)-, methyl ester, (S)-
Alternate Name(s) Methyl (3S)-2',7-di-O-benzylvestitol-5'-carboxylate Methyl 4-(benzyloxy)-5-[(3S)-7-(benzyloxy)-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzoate
CAS Registry Number 116718-27-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30O6
InChI InChI=1S/C32H30O6/c1-34-30-18-31(37-20-23-11-7-4-8-12-23)27(17-28(30)32(33)35-2)25-15-24-13-14-26(16-29(24)38-21-25)36-19-22-9-5-3-6-10-22/h3-14,16-18,25H,15,19-21H2,1-2H3/t25-/m1/s1
InChIKey QRZNJTJISBJVHU-RUZDIDTESA-N
Molecular Weight 510.586 g/mol
SMILES c1(cc([C@@]2(Cc3ccc(cc3OC2)OCc2ccccc2)[H])c(cc1OC)OCc1ccccc1)C(=O)OC
SPLASH splash10-0006-9100000000-2b2b3908731ac02d2b22
Source of Spectrum KC-1988-1233-19
Wiley ID 1400584