LIPID MAPS

Structure Database (LMSD)

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Common Name

Rebaudioside L

Systematic Name

Synonyms

LM ID

LMPR01040130

Formula

C₅₀H₈₀O₂₈

Exact Mass

Calculate m/z

1128.48362

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

SNHLJSLCVSDFJQ-DJENTABTSA-N

InChi (Click to copy)

InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-38(67)33(62)28(57)21(14-53)72-44)25(49)6-10-50(18,17-49)78-45-40(39(30(59)22(15-54)73-45)75-42-36(65)32(61)27(56)20(13-52)71-42)76-43-37(66)34(63)29(58)23(74-43)16-69-41-35(64)31(60)26(55)19(12-51)70-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1

SMILES (Click to copy)

[C@@]123CC([C@](O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)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

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

Other Databases

PubChem CID

171121047

Calculated Physicochemical Properties

Heavy Atoms 78

Rings 9

Aromatic Rings 0

Rotatable Bonds 16

Van der Waals Molecular Volume 1003.16

Topological Polar Surface Area 463.63

Hydrogen Bond Donors 17

Hydrogen Bond Acceptors 28

logP 1.58

Molar Refractivity 267.42

Admin

Created at

22nd Apr 2021

Updated at