| SpectraBase Compound ID | ADzosaQsyl9 |
|---|---|
| InChI | InChI=1S/C35H52O9/c1-21(31(39)40)10-12-28(44-24(4)37)22(2)25-14-17-34(8)26-11-13-29(32(5,6)41)35(20-43-23(3)36,19-16-30(38)42-9)27(26)15-18-33(25,34)7/h10-11,15,22,25,28-29,41H,12-14,16-20H2,1-9H3,(H,39,40)/b21-10-/t22-,25+,28-,29-,33+,34-,35-/m0/s1 |
| InChIKey | IQKAWHUEZWYQHM-PUSKIKAYSA-N |
| Mol Weight | 616.8 g/mol |
| Molecular Formula | C35H52O9 |
| Exact Mass | 616.361133 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZCLPHUt2M7 |
|---|---|
| Name | COLOSSOLACTONE_VI;(22-R)-3,4-SECO-19,22-DIACETOXY-4-HYDROXYLANOSTA-7(11),24-(Z)-TRIEN-3,26-DIOIC_ACID_3-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H52O9 |
| InChI | InChI=1S/C35H52O9/c1-21(31(39)40)10-12-28(44-24(4)37)22(2)25-14-17-34(8)26-11-13-29(32(5,6)41)35(20-43-23(3)36,19-16-30(38)42-9)27(26)15-18-33(25,34)7/h10-11,15,22,25,28-29,41H,12-14,16-20H2,1-9H3,(H,39,40)/b21-10-/t22-,25+,28-,29-,33+,34-,35-/m0/s1 |
| InChIKey | IQKAWHUEZWYQHM-PUSKIKAYSA-N |
| Literature Reference Author | R.S.E.DINE,A.M.E.HALAWANY,C.M.MA,M.HATTORI |
| Literature Reference Citation | J.NAT.PROD.,71,1022(2008) |
| Literature Reference DOI | 10.1021/np8001139 |
| Molecular Weight | 616.792 g/mol |
| Sample ID | 28080 |
| Solvent | CDCl3 |