CAS:126-13-6 ; Sucrose acetate isobutyrate[蔗糖乙酸异丁酸酯] 中国高等生命科学生物化学制品

CAS Registry Number^®

126-13-6

CAS Name

Sucrose acetate isobutyrate

Molecular Formula

C₄₀H₆₂O₁₉

Molecular Mass

846.91

Compound Properties

Density (1)

1.146 g/cm³ @ Temp: 25 °C

Source(s)

(1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C40H62O19/c1-18(2)33(43)51-17-40(32(57-38(48)23(11)12)29(54-35(45)20(5)6)27(58-40)16-50-25(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

InChIKey

InChIKey=ZNEBZIJCDDCNRC-SWTLDUCYSA-N

SMILES

O([C@@]1(COC(C(C)C)=O)[C@@H](OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@@H](COC(C)=O)O1)[C@@H]2[C@H](OC(C(C)C)=O)[C@@H](OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@@H](COC(C)=O)O2

Canonical SMILES

O=C(OCC1OC(OC2(OC(COC(=O)C)C(OC(=O)C(C)C)C2OC(=O)C(C)C)COC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C)C

Other Names for this Substance

α-D-Glucopyranoside, 6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-β-D-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate)
Sucrose, diacetate hexaisobutyrate
Isobutyric acid, hexaester with sucrose diacetate
Sucrose acetate isobutyrate
SAIB
Saccharose acetate isobutyrate
Sucrose acetoisobutyrate
SAIB 100S
Sucrose acetate isobutanoate
SAIB FG
SAIB 100
E 444
Sustane SAIB MCT
Binester SAAB

Deleted or Replaced CAS Registry Numbers

1338-47-2

Sucrose acetate isobutyrate[蔗糖乙酸异丁酸酯]

CAS Registry Number®