LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

alpha-Chaconine

Systematic Name

Solanid-5-en-3β-yl α-L-rhamnopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside

Synonyms

LM ID

LMST01150018

Formula

C₄₅H₇₃NO₁₄

Exact Mass

Calculate m/z

851.50311

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Solanum nigrum (#4112)

Magnoliopsida (#3398)

Die Konstitution des Solanins,
Angew Chemie, 1954

DOI: 10.1002/ange.19540662006

Solanum tuberosum (#4113)

Magnoliopsida (#3398)

Steroidal Glycoalkaloids: Isolation, Structure, Analysis, and Biosynthesis,
Nat Prod Comm, 2006

DOI: 10.1177/1934578X060010100

String Representations

InChiKey (Click to copy)

TYNQWWGVEGFKRU-AJDPQWBVSA-N

InChi (Click to copy)

InChI=1S/C45H73NO14/c1-19-7-10-28-20(2)31-29(46(28)17-19)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)57-43-40(60-42-37(53)35(51)33(49)22(4)56-42)38(54)39(30(18-47)58-43)59-41-36(52)34(50)32(48)21(3)55-41/h8,19-22,24-43,47-54H,7,9-18H2,1-6H3/t19-,20+,21-,22-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1

SMILES (Click to copy)

C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@@]6([H])CC[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](CO)O2)C1)C