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Angelol G, diacetate
SpectraBase Compound ID BrKXISMgNAt
InChI InChI=1S/C24H28O9/c1-8-13(2)23(28)32-22(24(5,6)33-15(4)26)21(30-14(3)25)17-11-16-9-10-20(27)31-18(16)12-19(17)29-7/h8-12,21-22H,1-7H3/b13-8-/t21-,22-/m1/s1
InChIKey PBEVQKPEJNKTMW-XWBPFNTBSA-N
Mol Weight 460.48 g/mol
Molecular Formula C24H28O9
Exact Mass 460.173332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1egzBPqW5KK
Name Angelol G, diacetate
Comments Computed using HOSE algorithm
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Exact Mass 460.173332473 u
Formula C24H28O9
InChI InChI=1S/C24H28O9/c1-8-13(2)23(28)32-22(24(5,6)33-15(4)26)21(30-14(3)25)17-11-16-9-10-20(27)31-18(16)12-19(17)29-7/h8-12,21-22H,1-7H3/b13-8-/t21-,22-/m1/s1
InChIKey PBEVQKPEJNKTMW-XWBPFNTBSA-N
Molecular Weight 460.479 g/mol
SMILES C1(=C(C=C2C(=C1)C=CC(O2)=O)OC)[C@]([C@](C(OC(=O)C)(C)C)(OC(\C(=C/C)C)=O)[H])(OC(=O)C)[H]