| SpectraBase Compound ID | 6YIJQ0BZuqj |
|---|---|
| InChI | InChI=1S/C49H88O20/c1-23-14-15-32(52)18-33(53)16-31(51)11-9-13-40(59)67-45(26(4)43(61)25(3)42(60)24(2)28(6)65-41-21-37(56)44(62)29(7)66-41)27(5)46-47(68-46)36(55)12-8-10-30(50)17-34(54)19-35-20-38(57)48(63)49(64,69-35)22-39(23)58/h9,13,23-39,41-48,50-58,60-64H,8,10-12,14-22H2,1-7H3/b13-9+/t23-,24+,25-,26+,27-,28+,29+,30-,31+,32+,33+,34+,35-,36+,37+,38+,39-,41-,42+,43+,44-,45-,46+,47+,48-,49+/m1/s1 |
| InChIKey | GCFWHLMSTULBNF-WRVUTUOTSA-N |
| Mol Weight | 997.2 g/mol |
| Molecular Formula | C49H88O20 |
| Exact Mass | 996.586895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Xaek7dpe8a |
|---|---|
| Name | BRASILINOLIDE-C |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H88O20 |
| InChI | InChI=1S/C49H88O20/c1-23-14-15-32(52)18-33(53)16-31(51)11-9-13-40(59)67-45(26(4)43(61)25(3)42(60)24(2)28(6)65-41-21-37(56)44(62)29(7)66-41)27(5)46-47(68-46)36(55)12-8-10-30(50)17-34(54)19-35-20-38(57)48(63)49(64,69-35)22-39(23)58/h9,13,23-39,41-48,50-58,60-64H,8,10-12,14-22H2,1-7H3/b13-9+/t23-,24+,25-,26+,27-,28+,29+,30-,31+,32+,33+,34+,35-,36+,37+,38+,39-,41-,42+,43+,44-,45-,46+,47+,48-,49+/m1/s1 |
| InChIKey | GCFWHLMSTULBNF-WRVUTUOTSA-N |
| Literature Reference Author | K.KOMATSU,M.TSUDA,Y.TANAKA,Y.MIKAMI,J.KOBAYASHI |
| Literature Reference Citation | J.ORG.CHEM.,69,1535(2004) |
| Literature Reference DOI | 10.1021/jo035773v |
| Molecular Weight | 997.226 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN21886 |