| SpectraBase Compound ID | B27OHSIRhoz |
|---|---|
| InChI | InChI=1S/C41H53NO7/c1-24(2)12-11-15-28(37(47)48-23-42-35(45)26-13-9-10-14-27(26)36(42)46)34-31(44)22-41(8)30-16-17-32-38(4,5)33(49-25(3)43)19-20-39(32,6)29(30)18-21-40(34,41)7/h9-10,12-14,16,18,28,31-34,44H,11,15,17,19-23H2,1-8H3/t28?,31-,32+,33+,34+,39-,40-,41+/m1/s1 |
| InChIKey | BVBSJLPLXGRUTB-BXCYGHHCSA-N |
| Mol Weight | 671.9 g/mol |
| Molecular Formula | C41H53NO7 |
| Exact Mass | 671.382203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7kOvCDN7d46 |
|---|---|
| Name | 3-BETA-O-ACETYL-16-ALPHA-HYDROXYDEHYDRO-TRAMETENOLIC-ACID-PHTHALIMIDO-METHYLESTER |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H53NO7 |
| InChI | InChI=1S/C41H53NO7/c1-24(2)12-11-15-28(37(47)48-23-42-35(45)26-13-9-10-14-27(26)36(42)46)34-31(44)22-41(8)30-16-17-32-38(4,5)33(49-25(3)43)19-20-39(32,6)29(30)18-21-40(34,41)7/h9-10,12-14,16,18,28,31-34,44H,11,15,17,19-23H2,1-8H3/t28?,31-,32+,33+,34+,39-,40-,41+/m1/s1 |
| InChIKey | BVBSJLPLXGRUTB-BXCYGHHCSA-N |
| Literature Reference Author | T.TAI,T.SHINGU,T.KIKUCHI,Y.TEZUKA,A.AKAHORI |
| Literature Reference Citation | PHYTOCHEM.,40,225(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00182-7 |
| Molecular Weight | 671.874 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3446 |