Structure Database (LMSD)

Common Name
Rebaudioside F
Systematic Name
Synonyms
LM ID
LMPR01040140
Formula
Exact Mass
Calculate m/z
936.42023
Status
Active


Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stevia rebaudiana (#55670)
Magnoliopsida (#3398)
Steviol glycosides: chemical diversity, metabolism, and function.,
J Nat Prod, 2013
Pubmed ID: 23713723

String Representations

InChiKey (Click to copy)
HYLAUKAHEAUVFE-AVBZULRRSA-N
InChi (Click to copy)
InChI=1S/C43H68O22/c1-17-11-42-9-5-22-40(2,7-4-8-41(22,3)39(57)64-37-32(56)29(53)26(50)20(13-45)60-37)23(42)6-10-43(17,16-42)65-38-34(63-35-30(54)24(48)18(47)15-58-35)33(27(51)21(14-46)61-38)62-36-31(55)28(52)25(49)19(12-44)59-36/h18-38,44-56H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37+,38+,40-,41-,42-,43+/m1/s1
SMILES (Click to copy)
[C@@]123CC([C@](O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O)CO)(CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)[C@@]1([H])CC2)C3)=C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 65
Rings 8
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 841.68
Topological Polar Surface Area 362.18
Hydrogen Bond Donors 13
Hydrogen Bond Acceptors 22
logP 2.39
Molar Refractivity 225.22

Admin

Created at
22nd Apr 2021
Updated at
22nd Apr 2021