| SpectraBase Compound ID | LCsi7cHUbsA |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-20(34)37-25-11-12-29(5)23(27(25,2)3)10-13-31(7)24(29)9-8-21-22-18-28(4,19-33)14-16-32(22,26(35)36)17-15-30(21,31)6/h8,22-25,33H,9-19H2,1-7H3,(H,35,36)/t22?,23?,24?,25-,28-,29+,30-,31-,32?/m1/s1 |
| InChIKey | HLDAFIXNKURRBH-SDAAGYAISA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rTQyyRbE3n |
|---|---|
| Name | 3-ALPHA-O-ACETYL-MESEMBRYANTHEMOIDIGENIC-ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-20(34)37-25-11-12-29(5)23(27(25,2)3)10-13-31(7)24(29)9-8-21-22-18-28(4,19-33)14-16-32(22,26(35)36)17-15-30(21,31)6/h8,22-25,33H,9-19H2,1-7H3,(H,35,36)/t22?,23?,24?,25-,28-,29+,30-,31-,32?/m1/s1 |
| InChIKey | HLDAFIXNKURRBH-SDAAGYAISA-N |
| Literature Reference Author | A.IKUTA,H.ITOKAWA |
| Literature Reference Citation | J.NAT.PROD.,52,623(1989) |
| Literature Reference DOI | 10.1021/np50063a024 |
| Molecular Weight | 514.746 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS466 |