benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate

SpectraBase Compound ID	D9vtCJzZL95
InChI	InChI=1S/C47H56O9/c1-4-6-8-10-18-24-38(48)26-36-28-40(54-32-34-20-14-12-15-21-34)30-42(50)44(36)47(52)56-41-29-37(27-39(49)25-19-11-9-7-5-2)45(43(31-41)53-3)46(51)55-33-35-22-16-13-17-23-35/h12-17,20-23,28-31,50H,4-11,18-19,24-27,32-33H2,1-3H3
InChIKey	DUOVNPWBUKFISU-UHFFFAOYSA-N Google Search
Mol Weight	765.0 g/mol
Molecular Formula	C47H56O9
Exact Mass	764.392433 g/mol

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SpectraBase Spectrum ID	F6mEno5utR7
Name	benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C47H56O9
InChI	InChI=1S/C47H56O9/c1-4-6-8-10-18-24-38(48)26-36-28-40(54-32-34-20-14-12-15-21-34)30-42(50)44(36)47(52)56-41-29-37(27-39(49)25-19-11-9-7-5-2)45(43(31-41)53-3)46(51)55-33-35-22-16-13-17-23-35/h12-17,20-23,28-31,50H,4-11,18-19,24-27,32-33H2,1-3H3
InChIKey	DUOVNPWBUKFISU-UHFFFAOYSA-N
Molecular Weight	764.956 g/mol
SMILES	Oc1c(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCCCC)C(OCc2ccccc2)=O)=O)c(cc(c1)OCc1ccccc1)CC(=O)CCCCCCC
SPLASH	splash10-0006-9000000000-052c08cf4fd48bd79bd6
Source of Spectrum	B-50-484-37
Synonyms	4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxononyl)phenyl 4-(benzyloxy)-2-hydroxy-6-(2-oxononyl)benzoate Benzyl 4-O-benzyl-2'-O-methyl-nor-superphyllinate A Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Wiley ID	745667