(Q27291653)

inferred from SMILES

chemical structure

Pentaacetyl-beta-D-glucose.svg
475 × 412; 20 KB

0 references

mass

390.116±0 dalton

1 reference

beta-D-Glucose pentaacetate (English)

penta-O-acetyl-alpha-D-galactose

14 October 2016

stereoisomer of

2 references

α-D-glucose pentaacetate

2 references

beta-D-Galactose pentaacetate

2 references

1,2,3,4,6-Penta-O-acetyl-beta-D-glucopyranose

1 reference

chemical formula

C₁₆H₂₂O₁₁

1 reference

beta-D-Glucose pentaacetate (English)

14 October 2016

canonical SMILES

CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

1 reference

beta-D-Glucose pentaacetate (English)

14 October 2016

isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

1 reference

Iridoid glucosides from Wendlandia tinctoria roots

beta-D-Glucose pentaacetate (English)

14 October 2016

1 reference

Identifiers

InChI

InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1

1 reference

beta-D-Glucose pentaacetate (English)

14 October 2016

1 reference

Global Substance Registration System

beta-D-Glucose pentaacetate (English)

14 October 2016

2 references

β-D-glucose pentaacetate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=604-69-3

10 April 2021

1 reference

.beta.-D-Glucose pentaacetate (English)

14 October 2016

2 references

beta-D-Glucose pentaacetate (English)

14 October 2016

ChEBI ID

177390

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1

1 reference

CHEMBL438446 (English)

14 October 2016

2 references

MSBNK-Fac_Eng_Univ_Tokyo-JP011490

1 reference

MassBank accession ID

0 references

SPLASH

splash10-0k97-5930000000-e21c830a522243fe6a57

0 references

NSC number

214078

0 references

EC number

210-074-8

1 reference

Global Substance Registration System

β-D-glucose pentaacetate (English)

ECHA Substance Infocard ID

14 October 2016

100.009.159

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.159

27 December 2018

AICS Chemical ID (BEING DELETED)

β-D-glucose pentaacetate (English)

quotation

CAS no.: 604-69-3 (English)

5180

0 references

Human Metabolome Database ID

HMDB0034223

2 references

2 references

Global Substance Registration System

β-D-glucose pentaacetate (English)

14 October 2016