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(3aS,11aS,14aS,22aS)-dodecahydrobis[1,3]dioxolo[4,5-c:4',5'-m][1,6,11,16]tetraoxacycloicosine-6,9,17,20-tetraone
SpectraBase Compound ID 4whVlq5im7M
InChI InChI=1S/C18H24O12/c19-15-1-2-16(20)24-6-12-14(30-10-28-12)8-26-18(22)4-3-17(21)25-7-13-11(5-23-15)27-9-29-13/h11-14H,1-10H2/t11-,12-,13-,14-/m0/s1
InChIKey ROHGAPVNBYPMEH-XUXIUFHCSA-N
Mol Weight 432.38 g/mol
Molecular Formula C18H24O12
Exact Mass 432.126776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CINpToO3um1
Name (3aS,11aS,14aS,22aS)-dodecahydrobis[1,3]dioxolo[4,5-c:4',5'-m][1,6,11,16]tetraoxacycloicosine-6,9,17,20-tetraone
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Formula C18H24O12
InChI InChI=1S/C18H24O12/c19-15-1-2-16(20)24-6-12-14(30-10-28-12)8-26-18(22)4-3-17(21)25-7-13-11(5-23-15)27-9-29-13/h11-14H,1-10H2/t11-,12-,13-,14-/m0/s1
InChIKey ROHGAPVNBYPMEH-XUXIUFHCSA-N
Instrument Name Micromass ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20001230)14_24_2357
Molecular Weight 432.378 g/mol
SMILES [C@@]12([C@](COC(CCC(OC[C@]3([C@](COC(CCC(OC2)=O)=O)(OCO3)[H])[H])=O)=O)(OCO1)[H])[H]
SPLASH splash10-0a4j-9200000000-5a9c16a32a1cb8d01bbf
Source of Spectrum RCM-14-2358-2
Wiley ID 1839137