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Triacetylzanhic acid - dimethyl ester
SpectraBase Compound ID D7PPVpoLXyH
InChI InChI=1S/C38H56O10/c1-21(39)46-26-19-34(6)27-13-12-24-25-18-33(4,5)16-17-38(25,32(43)45-11)29(47-22(2)40)20-36(24,8)35(27,7)15-14-28(34)37(9,31(42)44-10)30(26)48-23(3)41/h12,25-30H,13-20H2,1-11H3/t25?,26-,27?,28?,29+,30-,34+,35+,36+,37-,38+/m0/s1
InChIKey LUFZTEZEVVSJCL-FCWRWHEZSA-N
Mol Weight 672.9 g/mol
Molecular Formula C38H56O10
Exact Mass 672.387348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tHwLBuxG2c
Name Triacetylzanhic acid - dimethyl ester
Alternate Name(s) Acide zanhique triacetate dimethylester Dimethyl (2beta,3beta,4beta,16alpha)-2,3,16-tris(acetyloxy)olean-12-ene-23,28-dioate
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Formula C38H56O10
InChI InChI=1S/C38H56O10/c1-21(39)46-26-19-34(6)27-13-12-24-25-18-33(4,5)16-17-38(25,32(43)45-11)29(47-22(2)40)20-36(24,8)35(27,7)15-14-28(34)37(9,31(42)44-10)30(26)48-23(3)41/h12,25-30H,13-20H2,1-11H3/t25?,26-,27?,28?,29+,30-,34+,35+,36+,37-,38+/m0/s1
InChIKey LUFZTEZEVVSJCL-FCWRWHEZSA-N
Molecular Weight 672.856 g/mol
SMILES [C@]12(C(C3CC(C)(C)CC[C@@]3([C@@](C2)(OC(=O)C)[H])C(=O)OC)=CCC2[C@]3(C[C@](OC(=O)C)([C@@]([C@](C3CC[C@@]12C)(C(=O)OC)C)(OC(=O)C)[H])[H])C)C
SPLASH splash10-0gxa-0970000000-3534dc1aa4b1fe20f400
Source of Spectrum AN-101-286-2
Wiley ID 747278