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Crasseride tetraacetate
SpectraBase Compound ID 9IDc3Rd0t2u
InChI InChI=1S/C49H88O12/c1-9-11-13-23-29-37(3)31-25-19-16-15-17-22-28-34-55-35-43(61-44(54)33-27-21-18-20-26-32-38(4)30-24-14-12-10-2)36-56-45-46(57-39(5)50)48(59-41(7)52)49(60-42(8)53)47(45)58-40(6)51/h37-38,43,45-49H,9-36H2,1-8H3/t37?,38?,43-,46+,47+,48-,49-/m0/s1
InChIKey APFWKKZNLMGZEV-FYPQFWNMSA-N
Mol Weight 0.0 g/mol
Molecular Formula C48H86O12
Exact Mass 0.0 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PkSxzxve4e
Name Crasseride tetraacetate
Alternate Name(s) (2S)-1-[(10-methylhexadecyl)oxy]-3-{[(1S,2S,4S)-2,3,4,5-tetrakis(acetyloxy)cyclopentyl]oxy}propan-2-yl 9-methylpentadecanoate
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Formula C49H88O12
InChI InChI=1S/C49H88O12/c1-9-11-13-23-29-37(3)31-25-19-16-15-17-22-28-34-55-35-43(61-44(54)33-27-21-18-20-26-32-38(4)30-24-14-12-10-2)36-56-45-46(57-39(5)50)48(59-41(7)52)49(60-42(8)53)47(45)58-40(6)51/h37-38,43,45-49H,9-36H2,1-8H3/t37?,38?,43-,46+,47+,48-,49-/m0/s1
InChIKey APFWKKZNLMGZEV-FYPQFWNMSA-N
Molecular Weight 869.231 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)(C([C@]1(OC(=O)C)[H])OC[C@@](OC(=O)CCCCCCCC(CCCCCC)C)(COCCCCCCCCCC(CCCCCC)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-114v-0078091000-eea1fabc600331486ae3
Source of Spectrum J-58-190-5
Wiley ID 1417823