SUCROSE OCTAISOBUTYRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H70O19
Molecular Weight	903.0152
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=QSOGLNCCKWUXRN-CIGKAFDASA-N

InChI=1S/C44H70O19/c1-20(2)35(45)53-17-28-30(57-38(48)23(7)8)32(59-40(50)25(11)12)33(60-41(51)26(13)14)43(56-28)63-44(19-55-37(47)22(5)6)34(61-42(52)27(15)16)31(58-39(49)24(9)10)29(62-44)18-54-36(46)21(3)4/h20-34,43H,17-19H2,1-16H3/t28-,29-,30-,31-,32+,33-,34+,43-,44+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C44H70O19
Molecular Weight	903.0152
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:26 GMT 2023` Edited by `admin` on `Fri Dec 15 19:50:26 GMT 2023`
Record UNII	O7704K0GMS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SUCROSE OCTAISOBUTYRATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00145506