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Glabcensin B

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Glabcensin B
SpectraBase Compound ID EoMhaaAKnlX
InChI InChI=1S/C28H38O10/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)24(34)26(6,7)22(27)20(37-15(4)31)25(38-16(5)32)28(21,10-17)23(12)33/h17-22,24-25,34H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+/m1/s1
InChIKey WTKLXJQSMIPUJJ-VNVGTTLISA-N
Mol Weight 534.6 g/mol
Molecular Formula C28H38O10
Exact Mass 534.246497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJ4QKslDnCh
Name Glabcensin B
Alternate Name(s) (2beta,3beta,5beta,6alpha,7beta,8alpha,9beta,10alpha,11beta,13alpha)-2,6,11-tris(acetyloxy)-3-hydroxy-15-oxokaur-16-en-7-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O10
InChI InChI=1S/C28H38O10/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)24(34)26(6,7)22(27)20(37-15(4)31)25(38-16(5)32)28(21,10-17)23(12)33/h17-22,24-25,34H,1,9-11H2,2-8H3/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+/m1/s1
InChIKey WTKLXJQSMIPUJJ-VNVGTTLISA-N
Molecular Weight 534.602 g/mol
SMILES O[C@@]1(C([C@]2([C@]([C@@]([C@@]34[C@]([C@@]2(C[C@@]1(OC(=O)C)[H])C)([C@@](OC(=O)C)(C[C@](C4)(C(C3=O)=C)[H])[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])(C)C)[H]
SPLASH splash10-0bvm-0396300000-84d0beb826bfac42a99d
Source of Spectrum G4-60-1078-2
Wiley ID 1606929