U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H62O19
Molecular Weight 846.9089
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUCROSE ACETATE ISOBUTYRATE

SMILES

[H][C@]2(O[C@]1(COC(C)=O)O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C

InChI

InChIKey=UVGUPMLLGBCFEJ-SWTLDUCYSA-N
InChI=1S/C40H62O19/c1-18(2)33(43)50-16-27-29(54-35(45)20(5)6)32(57-38(48)23(11)12)40(58-27,17-51-25(14)42)59-39-31(56-37(47)22(9)10)30(55-36(46)21(7)8)28(53-34(44)19(3)4)26(52-39)15-49-24(13)41/h18-23,26-32,39H,15-17H2,1-14H3/t26-,27-,28-,29-,30+,31-,32+,39-,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula C40H62O19
Molecular Weight 846.9089
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:55:53 GMT 2023
Edited
by admin
on Fri Dec 15 18:55:53 GMT 2023
Record UNII
H5KI1C3YTV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUCROSE ACETATE ISOBUTYRATE
FCC   HSDB   INCI  
INCI  
Official Name English
SUCROSE DIACETATE HEXAISOBUTYRATE [USP-RS]
Common Name English
SUCROSE DIACETATE HEXAISOBUTYRATE
Systematic Name English
SUCROSE ACETATE ISOBUTYRATE [FCC]
Common Name English
SUCROSE ACETATE ISOBUTANOATE
Common Name English
INS-444
Code English
ISOBUTYRIC ACID, HEXAESTER WITH SUCROSE DIACETATE
Common Name English
SUCROSE ACETATE ISOBUTYRATE [HSDB]
Common Name English
.ALPHA.-D-GLUCOPYRANOSIDE, 6-O-ACETYL-1,3,4-TRIS-O-(2-METHYL-1-OXOPROPYL)-.BETA.-D-FRUCTOFURANOSYL, 6-ACETATE 2,3,4-TRIS(2-METHYLPROPANOATE)
Common Name English
SUCROSE ACETATE ISOBUTYRATE [INCI]
Common Name English
E-444
Common Name English
SUCROSE ACETATE ISOBUTYLATE
Common Name English
SAIB
Common Name English
INS NO.444
Code English
E444
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.833
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
CODEX ALIMENTARIUS (GSFA) INS-444
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
JECFA EVALUATION INS-444
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
Code System Code Type Description
CAS
27216-37-1
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
NON-SPECIFIC STOICHIOMETRY
SMS_ID
100000172964
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
CAS
126-13-6
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
MESH
C002885
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
HSDB
5657
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
PUBCHEM
31339
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
RXCUI
1363646
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY RxNorm
WIKIPEDIA
SUCROSE ACETATE ISOBUTYRATE
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
RS_ITEM_NUM
1623580
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-771-6
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
DAILYMED
H5KI1C3YTV
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID3027035
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
FDA UNII
H5KI1C3YTV
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY
GRAS Notification (GRN No.)
104
Created by admin on Fri Dec 15 18:55:53 GMT 2023 , Edited by admin on Fri Dec 15 18:55:53 GMT 2023
PRIMARY