| SpectraBase Compound ID | HKkPZCM0Qmi |
|---|---|
| InChI | InChI=1S/C41H52O17/c1-21(2)34(47)56-33-29(52-22(3)42)32(54-24(5)44)37(7,8)18-19-38(9,50)36(49)40(51)20-39(10,57-25(6)45)30(53-23(4)43)28(40)31-41(33,17-16-27(46)55-31)58-35(48)26-14-12-11-13-15-26/h11-15,18-19,21,28-33,50-51H,16-17,20H2,1-10H3/b19-18-/t28-,29+,30-,31-,32-,33-,38-,39-,40-,41+/m1/s1 |
| InChIKey | MQCUEGRYZSHOQS-RCNFLMIMSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C41H52O17 |
| Exact Mass | 816.32045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9EJOp4QAd5S |
|---|---|
| Name | 15-O-DEACETYL-13-ALPHA-HYDROXY-TERRACINOLIDE-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H52O17 |
| InChI | InChI=1S/C41H52O17/c1-21(2)34(47)56-33-29(52-22(3)42)32(54-24(5)44)37(7,8)18-19-38(9,50)36(49)40(51)20-39(10,57-25(6)45)30(53-23(4)43)28(40)31-41(33,17-16-27(46)55-31)58-35(48)26-14-12-11-13-15-26/h11-15,18-19,21,28-33,50-51H,16-17,20H2,1-10H3/b19-18-/t28-,29+,30-,31-,32-,33-,38-,39-,40-,41+/m1/s1 |
| InChIKey | MQCUEGRYZSHOQS-RCNFLMIMSA-N |
| Literature Reference Author | J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,J.JAKUPOVIC |
| Literature Reference Citation | J.NAT.PROD.,62,110(1999) |
| Literature Reference DOI | 10.1021/np980333y |
| Molecular Weight | 816.854 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19135 |