5H-1,3-Dioxolo[4,5-f]oxacyclotetradecin, erythronolide A deriv.

SpectraBase Compound ID	LizbokXnwNU
InChI	InChI=1S/C36H54O12/c1-13-28-35(10,41)32(45-25(8)39)20(3)29(43-23(6)37)19(2)18-34(9)31(21(4)30(44-24(7)38)22(5)33(40)46-28)47-36(11,48-34)26-14-16-27(42-12)17-15-26/h14-17,19-22,28-32,41H,13,18H2,1-12H3/t19-,20+,21+,22-,28-,29+,30+,31?,32?,34?,35?,36?/m1/s1
InChIKey	JQHYWTWCBRSUFQ-LGTXPAIYSA-N Google Search
Mol Weight	678.8 g/mol
Molecular Formula	C36H54O12
Exact Mass	678.361527 g/mol

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SpectraBase Spectrum ID	J4MXiIB8gvj
Name	5H-1,3-Dioxolo[4,5-f]oxacyclotetradecin, erythronolide A deriv.
CAS Registry Number	96918-57-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C36H54O12
InChI	InChI=1S/C36H54O12/c1-13-28-35(10,41)32(45-25(8)39)20(3)29(43-23(6)37)19(2)18-34(9)31(21(4)30(44-24(7)38)22(5)33(40)46-28)47-36(11,48-34)26-14-16-27(42-12)17-15-26/h14-17,19-22,28-32,41H,13,18H2,1-12H3/t19-,20+,21+,22-,28-,29+,30+,31?,32?,34?,35?,36?/m1/s1
InChIKey	JQHYWTWCBRSUFQ-LGTXPAIYSA-N
Molecular Weight	678.816 g/mol
SMILES	OC1(C([C@]([C@]([C@@](CC2(C(OC(O2)(c2ccc(cc2)OC)C)[C@]([C@@]([C@](C(O[C@@]1(CC)[H])=O)(C)[H])(OC(=O)C)[H])(C)[H])C)(C)[H])(OC(=O)C)[H])(C)[H])OC(=O)C)C
SPLASH	splash10-01pc-5900005000-48a809af64282a71e2cf
Source of Spectrum	KC-1985-30-7
Synonyms	Erythronolide A, 9-(acetyloxy)-9-deoxo-5,6-O-[1-(4-methoxyphenyl)ethylidene]-, 3,11-diacetate, (9S)- (4S,5S,6R,9R,12S,13S,14R)-5,11-bis(acetyloxy)-9-ethyl-10-hydroxy-2-(4-methoxyphenyl)-2,4,6,10,12,14,15a-heptamethyl-7-oxo-tetradecahydro-[1,3]dioxolo[4,5-f]oxacyclotetradecan-13-yl acetate 3,9,11-tri-O-acetyl-5,6-O-[1-(4-methoxyphenyl)ethylidene]-dihydroerythronolide
Wiley ID	1414265