| SpectraBase Compound ID | IDkgRnxbaaK |
|---|---|
| InChI | InChI=1S/2C37H46O9/c2*1-3-44-35(40)23-15-14-20-29(38)24-25-31-30(21-12-4-5-13-22-34(39)43-2)32(45-36(41)27-16-8-6-9-17-27)26-33(31)46-37(42)28-18-10-7-11-19-28/h2*4,6-12,16-19,24-25,29-33,38H,3,5,13-15,20-23,26H2,1-2H3/b2*12-4-,25-24-/t29-,30+,31+,32-,33+;29-,30-,31-,32+,33-/m01/s1 |
| InChIKey | YAHAUVSFANMBHK-AEVISFJMSA-N |
| Mol Weight | 1269.5 g/mol |
| Molecular Formula | C74H92O18 |
| Exact Mass | 1268.628366 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6smuz1hN3QI |
|---|---|
| Name | (+/-)-1-ALPHA,4-ALPHA-DIBENZOYLOXY-2-BETA-(3-HYDROXY-7-ETHOXYCARBONYL-2Z-HEPTENYL)-3-ALPHA-(2Z-6-METHOXYCARBONYL-2-HEXEN-1-YL)-CYClOPENTANE |
| Compound Number | XIII |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H92O18 |
| InChI | InChI=1S/2C37H46O9/c2*1-3-44-35(40)23-15-14-20-29(38)24-25-31-30(21-12-4-5-13-22-34(39)43-2)32(45-36(41)27-16-8-6-9-17-27)26-33(31)46-37(42)28-18-10-7-11-19-28/h2*4,6-12,16-19,24-25,29-33,38H,3,5,13-15,20-23,26H2,1-2H3/b2*12-4-,25-24-/t29-,30+,31+,32-,33+;29-,30-,31-,32+,33-/m01/s1 |
| InChIKey | YAHAUVSFANMBHK-AEVISFJMSA-N |
| Literature Reference Author | R.R.AKHMETVALEEV,F.A.AKBUTINA,T.A.BELOGAEVA,O.V.SHITIKOVA,M. S.MIFTAKHOV |
| Literature Reference Citation | RUSS.J.ORG.CHEM.,38,487(2002) |
| Literature Reference DOI | 10.1023/A:1016582703009 |
| Molecular Weight | 1269.534 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9553 |