| SpectraBase Compound ID | GV2EEcQdU8G |
|---|---|
| InChI | InChI=1S/C30H42O10/c1-16-12-29(35,25(34)37-3)26(39-16)40-23-11-18-4-5-21-20(28(18,15-31)13-22(23)32)6-8-27(2)19(7-9-30(21,27)36)17-10-24(33)38-14-17/h10,15-16,18-23,26,32,35-36H,4-9,11-14H2,1-3H3/t16-,18?,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+/m1/s1 |
| InChIKey | QLQSCJSKNAYZGB-HSMMYMOZSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C30H42O10 |
| Exact Mass | 562.277798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATP9hdhDy9X |
|---|---|
| Name | CALACTINIC_ACID_METHYLESTER |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O10 |
| InChI | InChI=1S/C30H42O10/c1-16-12-29(35,25(34)37-3)26(39-16)40-23-11-18-4-5-21-20(28(18,15-31)13-22(23)32)6-8-27(2)19(7-9-30(21,27)36)17-10-24(33)38-14-17/h10,15-16,18-23,26,32,35-36H,4-9,11-14H2,1-3H3/t16-,18?,19-,20+,21-,22-,23-,26+,27-,28-,29+,30+/m1/s1 |
| InChIKey | QLQSCJSKNAYZGB-HSMMYMOZSA-N |
| Literature Reference Author | M.C.ROY,F.R.CHANG,H.C.HUANG,M.Y.N.CHIANG,Y.C.WU |
| Literature Reference Citation | J.NAT.PROD.,68,1494(2005) |
| Literature Reference DOI | 10.1021/np0501740 |
| Molecular Weight | 562.657 g/mol |
| Solvent | CDCl3:C5D5N=9:1 |
| Source File Reference | UWMZ13208 |