Dataset
![molecular Image]()
Steviosid.hmbc
Chemical Info
| InChI | InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18?,19+,20-,21-,22+,23+,24?,25?,26-,27?,28?,29?,30+,31-,32-,33-,35+,36+,37+,38-/m0/s1 |
|---|---|
| SMILES | C=C1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)CCC[C@@]4(C)[C@@H]2CC[C@]1(O[C@@H]1O[C@H](CO)C(O)C(O)[C@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)C(O)C1O)C3 |
| InChI Key | UEDUENGHJMELGK-PKAZMRMBSA-N |
| Molecular Formula | C38H60O18 |
| Exact Mass | 804.900 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p45.s265.d1550 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D1550 |
| Version | |
| Author | Franziska Reuß, Klaus‐Peter Zeller, Hans‐Ullrich Siehl, Stefan Berger, Dieter Sicker |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T15:56:59.989818 |
| MetadataModified | 2024-04-22T15:56:59.989823 |
| MetadataPublished | 2023-12-25 01:43:57 |
| Field | Value |
|---|---|
| Measurement Technique | heteronuclear multiple bond coherence |
| Measurement Variables |
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