| SpectraBase Compound ID | BJK3WzzzBXY |
|---|---|
| InChI | InChI=1S/C34H50O12/c1-15-10-22(45-30(42)18(15)14-44-31-29(41)28(40)27(39)23(13-35)46-31)16(2)19-7-8-20-17-11-26(38)34(43)9-5-6-24(36)33(34,4)21(17)12-25(37)32(19,20)3/h5-6,16-17,19-23,25-29,31,35,37-41,43H,7-14H2,1-4H3/t16-,17-,19+,20+,21-,22+,23+,25+,26-,27+,28-,29+,31+,32+,33-,34+/m0/s1 |
| InChIKey | PHTAMKAWULWOCS-KWBBLWOWSA-N |
| Mol Weight | 650.8 g/mol |
| Molecular Formula | C34H50O12 |
| Exact Mass | 650.330227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VuMp48zw4l |
|---|---|
| Name | BAIMANTUOLUOSIDE-H;(5-BETA,6-BETA,12-BETA,22R)-5,6,12,27-TETRAHYDROXY-1,26-DIOXO-WITHA-2,24-DIENOLIDE-27-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H50O12 |
| InChI | InChI=1S/C34H50O12/c1-15-10-22(45-30(42)18(15)14-44-31-29(41)28(40)27(39)23(13-35)46-31)16(2)19-7-8-20-17-11-26(38)34(43)9-5-6-24(36)33(34,4)21(17)12-25(37)32(19,20)3/h5-6,16-17,19-23,25-29,31,35,37-41,43H,7-14H2,1-4H3/t16-,17-,19+,20+,21-,22+,23+,25+,26-,27+,28-,29+,31+,32+,33-,34+/m0/s1 |
| InChIKey | PHTAMKAWULWOCS-KWBBLWOWSA-N |
| Literature Reference Author | H.X.KUANG,B.Y.YANG,Y.G.XIA,Q.H.WANG |
| Literature Reference Citation | MOLECULES,16,5833(2011) |
| Literature Reference DOI | 10.3390/molecules16075833 |
| Molecular Weight | 650.764 g/mol |
| Sample ID | 414 |
| Solvent | CD3OD |