Steviosid.roesy
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 |
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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 |
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Additional Information
Field | Value |
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Data last updated | April 22, 2024 |
Metadata last updated | April 22, 2024 |
Created | April 22, 2024 |
Format | HTML |
License | Attribution 4.0 International |
Id | 1820c00f-8b78-471f-a1d4-0b951c0a3f17 |
Package id | nmrxiv-d1546 |
Resource type | HTML |
State | active |