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solasodine 3-beta-D-glucoside(1+)

Go to external page http://purl.obolibrary.org/obo/CHEBI_145042

Major species at pH 7.3.

Term info

Label

solasodine 3-beta-D-glucoside(1+)

database cross reference
Subsets

2_STAR

charge

+1

formula

C33H54NO7

has obo namespace

chebi_ontology

has related synonym

solasodine 3-beta-D-glucoside

id

CHEBI:145042

inchi

InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/p+1/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1

inchikey

XMLLJGHZPHTUKK-GAMIEDRGSA-O

mass

576.794

monoisotopicmass

576.38948

smiles

[C@]12([C@]3(C)[C@@](C[C@@]1(O[C@@]4([C@H]2C)CC[C@@H](C)C[NH2+]4)[H])([C@]5([C@@]([C@@]6(C(C[C@@H](O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)CC6)=CC5)C)(CC3)[H])[H])[H])[H]