2H-1-Benzopyran-3,5,7-triol, 6-[[4-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-

SpectraBase Compound ID	LYqymvfUH0w
InChI	InChI=1S/C34H32O13/c1-17(35)41-25-10-7-23(8-11-25)13-26-29(43-19(3)37)16-30-27(34(26)46-22(6)40)15-32(45-21(5)39)33(47-30)24-9-12-28(42-18(2)36)31(14-24)44-20(4)38/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey	JRHIAXDCHOIGJJ-JHOUSYSJSA-N Google Search
Mol Weight	648.6 g/mol
Molecular Formula	C34H32O13
Exact Mass	648.184291 g/mol

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SpectraBase Spectrum ID	1TKlzHpUxf9
Name	2H-1-Benzopyran-3,5,7-triol, 6-[[4-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	648.184291077 u
Formula	C34H32O13
InChI	InChI=1S/C34H32O13/c1-17(35)41-25-10-7-23(8-11-25)13-26-29(43-19(3)37)16-30-27(34(26)46-22(6)40)15-32(45-21(5)39)33(47-30)24-9-12-28(42-18(2)36)31(14-24)44-20(4)38/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1
InChIKey	JRHIAXDCHOIGJJ-JHOUSYSJSA-N
Molecular Weight	648.617 g/mol
SMILES	C12=C(C(CC=3C=CC(OC(=O)C)=CC3)=C(C=C1O[C@@]([C@](C2)(OC(=O)C)[H])(C=1C=C(OC(=O)C)C(=CC1)OC(=O)C)[H])OC(=O)C)OC(=O)C