| SpectraBase Compound ID | 1aZIrfcZMqW |
|---|---|
| InChI | InChI=1S/C38H58O11/c1-21(39)46-20-36(8)28-18-31(49-24(4)42)38(45)19-33(5)15-12-26-34(6,17-14-30(48-23(3)41)37(26,9)32(43)44)25(33)10-11-27(38)35(28,7)16-13-29(36)47-22(2)40/h25-31,45H,10-20H2,1-9H3,(H,43,44)/t25-,26+,27+,28+,29+,30-,31-,33-,34+,35+,36+,37+,38+/m0/s1 |
| InChIKey | VMXISGBTRUTHGY-OSCPPJABSA-N |
| Mol Weight | 690.9 g/mol |
| Molecular Formula | C38H58O11 |
| Exact Mass | 690.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LMGab8fHuMs |
|---|---|
| Name | LYCERNUIC-ACID-C-TETRAACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O11 |
| InChI | InChI=1S/C38H58O11/c1-21(39)46-20-36(8)28-18-31(49-24(4)42)38(45)19-33(5)15-12-26-34(6,17-14-30(48-23(3)41)37(26,9)32(43)44)25(33)10-11-27(38)35(28,7)16-13-29(36)47-22(2)40/h25-31,45H,10-20H2,1-9H3,(H,43,44)/t25-,26+,27+,28+,29+,30-,31-,33-,34+,35+,36+,37+,38+/m0/s1 |
| InChIKey | VMXISGBTRUTHGY-OSCPPJABSA-N |
| Literature Reference Author | Z.ZHANG,H.N.ELSOHLY,M.R.JACOB,D.S.PASCO,L.A.WALKER,A.M.CLARK |
| Literature Reference Citation | J.NAT.PROD.,65,979(2002) |
| Literature Reference DOI | 10.1021/np0200616 |
| Molecular Weight | 690.872 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4356 |