| SpectraBase Compound ID | IdupMfdB3EO |
|---|---|
| InChI | InChI=1S/C33H37NO8/c1-20-12-13-23(40-28(37)21-9-6-5-7-10-21)25-30(2)14-15-33(17-24(35)39-19-33)42-32(30,4)26(36)27(31(20,25)3)41-29(38)22-11-8-16-34-18-22/h5-12,16,18,23,25-27,36H,13-15,17,19H2,1-4H3/t23-,25-,26+,27+,30-,31+,32+,33-/m1/s1 |
| InChIKey | LHDUPMAARYESGH-JIYIMHFPSA-N |
| Mol Weight | 575.7 g/mol |
| Molecular Formula | C33H37NO8 |
| Exact Mass | 575.251917 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | r8lcw2Obbz |
|---|---|
| Name | SCUTEBARBATINE-W;(13R)-1-BETA-BENZOYLOXY-6-ALPHA-NICOTINOYLOXY-7-BETA-HYDROXY-8-BETA,13-EPOXY-3-NEO-CLERODEN-15,16-OLIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H37NO8 |
| InChI | InChI=1S/C33H37NO8/c1-20-12-13-23(40-28(37)21-9-6-5-7-10-21)25-30(2)14-15-33(17-24(35)39-19-33)42-32(30,4)26(36)27(31(20,25)3)41-29(38)22-11-8-16-34-18-22/h5-12,16,18,23,25-27,36H,13-15,17,19H2,1-4H3/t23-,25-,26+,27+,30-,31+,32+,33-/m1/s1 |
| InChIKey | LHDUPMAARYESGH-JIYIMHFPSA-N |
| Literature Reference Author | F.WANG,F.C.REN,Y.J.LI,J.K.LIU |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,1267(2010) |
| Literature Reference DOI | 10.1248/cpb.58.1267 |
| Molecular Weight | 575.659 g/mol |
| Source File Reference | UWBT3905 |