![BUTANEDIOIC-ACID-BIS-[(13S)-13-HYDROXY-LABDA-8(17),14-DIEN-19-YL]-ESTER](/api/spectrum/JsZTuOBLAaM/structure.png?h=300&w=458 "BUTANEDIOIC-ACID-BIS-[(13S)-13-HYDROXY-LABDA-8(17),14-DIEN-19-YL]-ESTER")
| SpectraBase Compound ID | 5NyOHfH9Fuf |
|---|---|
| InChI | InChI=1S/C44H70O6/c1-11-41(7,47)27-21-33-31(3)15-17-35-39(5,23-13-25-43(33,35)9)29-49-37(45)19-20-38(46)50-30-40(6)24-14-26-44(10)34(22-28-42(8,48)12-2)32(4)16-18-36(40)44/h11-12,33-36,47-48H,1-4,13-30H2,5-10H3/t33-,34-,35-,36-,39+,40+,41?,42?,43+,44+/m1/s1 |
| InChIKey | BZFOPBWJHGNXPC-QJZQRHORSA-N |
| Mol Weight | 695.0 g/mol |
| Molecular Formula | C44H70O6 |
| Exact Mass | 694.51724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsZTuOBLAaM |
|---|---|
| Name | BUTANEDIOIC-ACID-BIS-[(13S)-13-HYDROXY-LABDA-8(17),14-DIEN-19-YL]-ESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O6 |
| InChI | InChI=1S/C44H70O6/c1-11-41(7,47)27-21-33-31(3)15-17-35-39(5,23-13-25-43(33,35)9)29-49-37(45)19-20-38(46)50-30-40(6)24-14-26-44(10)34(22-28-42(8,48)12-2)32(4)16-18-36(40)44/h11-12,33-36,47-48H,1-4,13-30H2,5-10H3/t33-,34-,35-,36-,39+,40+,41?,42?,43+,44+/m1/s1 |
| InChIKey | BZFOPBWJHGNXPC-QJZQRHORSA-N |
| Literature Reference Author | J.J.XUE,C.Q.FAN,L.DONG,S.P.YANG,J.M.YUE |
| Literature Reference Citation | CHEM.BIODIV.,1,1702(2004) |
| Literature Reference DOI | 10.1002/cbdv.200490128 |
| Molecular Weight | 695.036 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS21777 |