| SpectraBase Compound ID | 8p797sDGeK6 |
|---|---|
| InChI | InChI=1S/C32H48O6/c1-17(2)19-11-14-32(27(36)37)16-15-29(6)20(23(19)32)9-10-22-30(29,7)13-12-21-28(4,5)25(38-18(3)33)24(26(34)35)31(21,22)8/h19-25H,1,9-16H2,2-8H3,(H,34,35)(H,36,37)/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1 |
| InChIKey | HMTHVBZILGKTGT-VSBKJJMFSA-N |
| Mol Weight | 528.7 g/mol |
| Molecular Formula | C32H48O6 |
| Exact Mass | 528.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwpLcPuDb85 |
|---|---|
| Name | 3-O-ACETYL-CEANOTHIC-ACID;3-O-ACETYL-CEANOTH-20(30)-EN-1,28-DIOIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H48O6 |
| InChI | InChI=1S/C32H48O6/c1-17(2)19-11-14-32(27(36)37)16-15-29(6)20(23(19)32)9-10-22-30(29,7)13-12-21-28(4,5)25(38-18(3)33)24(26(34)35)31(21,22)8/h19-25H,1,9-16H2,2-8H3,(H,34,35)(H,36,37)/t19-,20+,21-,22-,23+,24+,25-,29+,30+,31-,32-/m0/s1 |
| InChIKey | HMTHVBZILGKTGT-VSBKJJMFSA-N |
| Literature Reference Author | D.B.DOMINGUEZ-CARMONA,F.ESCALANTE-EROSA,K.GARCIA-SOSA,G.RUIZ -PINELL |
| Literature Reference Citation | J.BRAZ.CHEM.SOC.,22,1279(2011) |
| Literature Reference DOI | 10.1590/s0103-50532011000700013 |
| Molecular Weight | 528.730 g/mol |
| Source File Reference | UWBT5670 |