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(3aS,13aS,16aS,26aS)-2,2,15,15-tetramethylhexadecahydrobis[1,3]dioxolo[4,5-c:4',5'-o][1,6,13,18]tetraoxacyclotetracosine-6,11,19,24-tetraone

View entire compound with spectra: 1 MS (GC)

(3aS,13aS,16aS,26aS)-2,2,15,15-tetramethylhexadecahydrobis[1,3]dioxolo[4,5-c:4',5'-o][1,6,13,18]tetraoxacyclotetracosine-6,11,19,24-tetraone
SpectraBase Compound ID JQ3QRE1EANM
InChI InChI=1S/C26H40O12/c1-25(2)35-17-13-31-21(27)9-5-7-11-23(29)33-15-19-20(38-26(3,4)37-19)16-34-24(30)12-8-6-10-22(28)32-14-18(17)36-25/h17-20H,5-16H2,1-4H3/t17-,18-,19-,20-/m0/s1
InChIKey ZBFHCSFISGWPNH-MUGJNUQGSA-N
Mol Weight 544.6 g/mol
Molecular Formula C26H40O12
Exact Mass 544.251977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4toNScXKhPP
Name (3aS,13aS,16aS,26aS)-2,2,15,15-tetramethylhexadecahydrobis[1,3]dioxolo[4,5-c:4',5'-o][1,6,13,18]tetraoxacyclotetracosine-6,11,19,24-tetraone
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Formula C26H40O12
InChI InChI=1S/C26H40O12/c1-25(2)35-17-13-31-21(27)9-5-7-11-23(29)33-15-19-20(38-26(3,4)37-19)16-34-24(30)12-8-6-10-22(28)32-14-18(17)36-25/h17-20H,5-16H2,1-4H3/t17-,18-,19-,20-/m0/s1
InChIKey ZBFHCSFISGWPNH-MUGJNUQGSA-N
Instrument Name Micromass ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_1097-0231(20001230)14_24_2357
Molecular Weight 544.594 g/mol
SMILES [C@@]12([C@](COC(CCCCC(OC[C@]3([C@](COC(CCCCC(OC2)=O)=O)(OC(O3)(C)C)[H])[H])=O)=O)(OC(O1)(C)C)[H])[H]
SPLASH splash10-004i-0512190000-347f96897b04b542d33b
Source of Spectrum RCM-14-2360-6
Wiley ID 1839139