Ginsenoside Rb1 400/600 MHz in DMSOd6 NMR data.
Dataset description:
NMR data for ginsenoside Rb1 contains: 1D: 1H, 13C 2D: COSY, HSQC acquired 400 MHz, as well as 1D: 1H, 13C, PureShift 2D: HMBC acquired 600 MHz in DMSOd6 (2019-10-07)...
Chemical Info
| InChI | InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/t24?,25-,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+,45-,46-,47+,48?,49+,51+,52-,53-,54+/m1/s1 |
|---|---|
| SMILES | CC(C)=CCC[C@](C)(OC1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C |
| InChI Key | GZYPWOGIYAIIPV-MLWUZGTESA-N |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | May 15, 2024 |
| Metadata last updated | May 15, 2024 |
| Created | May 15, 2024 |
| Format | HTML |
| License | CC0 1.0 Legal Code |
| Id | 3c9b7de3-9580-4f5a-a547-fc1d381d5e2e |
| Package id | nmrxiv-d991 |
| Resource type | HTML |
| State | active |