| SpectraBase Compound ID | ERhgJ5WHelF |
|---|---|
| InChI | InChI=1S/C36H58O12/c1-31(2)9-10-36(30(45)46)18(11-31)17-7-8-22-32(3)12-20(40)28(48-29-26(44)25(43)24(42)21(15-37)47-29)33(4,16-38)27(32)19(39)13-35(22,6)34(17,5)14-23(36)41/h7,18-29,37-44H,8-16H2,1-6H3,(H,45,46)/t18-,19+,20-,21+,22+,23+,24+,25-,26+,27+,28-,29-,32+,33-,34+,35+,36+/m0/s1 |
| InChIKey | FVRGWXIWHZDBCA-ZBUDXABTSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C36H58O12 |
| Exact Mass | 682.392827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VE3Fn4DOCD |
|---|---|
| Name | 16-ALPHA-HYDROXY_PROTOBASSIC_ACID_3-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O12 |
| InChI | InChI=1S/C36H58O12/c1-31(2)9-10-36(30(45)46)18(11-31)17-7-8-22-32(3)12-20(40)28(48-29-26(44)25(43)24(42)21(15-37)47-29)33(4,16-38)27(32)19(39)13-35(22,6)34(17,5)14-23(36)41/h7,18-29,37-44H,8-16H2,1-6H3,(H,45,46)/t18-,19+,20-,21+,22+,23+,24+,25-,26+,27+,28-,29-,32+,33-,34+,35+,36+/m0/s1 |
| InChIKey | FVRGWXIWHZDBCA-ZBUDXABTSA-N |
| Literature Reference Author | S.K.NIGAM,X.C.LI,D.Z.WANG,G.MISRA,C.R.YANG |
| Literature Reference Citation | PHYTOCHEM.,31,3169(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83468-E |
| Molecular Weight | 682.849 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ21463 |