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podorhizol beta-D-glucoside

Go to external page http://purl.obolibrary.org/obo/CHEBI_27901

Term info

Label

podorhizol beta-D-glucoside

Synonyms
  • (S)-[(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydrofuran-3-yl](3,4,5-trimethoxyphenyl)methyl beta-D-glucopyranoside
  • Podorhizol beta-D-glucoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(S)-[(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydrofuran-3-yl](3,4,5-trimethoxyphenyl)methyl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C28H34O13

has alternative id

CHEBI:26166, CHEBI:8282

has obo namespace

chebi_ontology

id

CHEBI:27901

inchi

InChI=1S/C28H34O13/c1-34-18-8-14(9-19(35-2)26(18)36-3)25(41-28-24(32)23(31)22(30)20(10-29)40-28)21-15(11-37-27(21)33)6-13-4-5-16-17(7-13)39-12-38-16/h4-5,7-9,15,20-25,28-32H,6,10-12H2,1-3H3/t15-,20+,21-,22+,23-,24+,25+,28-/m0/s1

inchikey

IETDTZKBVWFSKR-XYEVPOBGSA-N

mass

578.56176

monoisotopicmass

578.19994

smiles

[H][C@]1([C@H](COC1=O)Cc1ccc2OCOc2c1)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(OC)c(OC)c(OC)c1