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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H58O12
Molecular Weight 718.8706
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2'-O-ACETYLACTEIN

SMILES

C[C@@H]1C[C@]2(O[C@H](O)[C@@]3(C)O[C@@H]23)O[C@H]4C[C@@]5(C)[C@@H]6CC[C@@H]7[C@]8(C[C@@]68C[C@@H](OC(C)=O)[C@]5(C)[C@@H]14)CC[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9OC(C)=O)C7(C)C

InChI

InChIKey=KWPBPWVYOWXHER-KBHPJZKOSA-N
InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-22-14-34(6)24-10-9-23-33(4,5)25(48-30-29(47-20(3)41)28(43)21(42)16-45-30)11-12-37(23)17-38(24,37)15-26(46-19(2)40)35(34,7)27(18)22/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21-,22+,23+,24+,25+,26-,27+,28+,29-,30+,31-,32+,34+,35-,36+,37-,38+,39-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2'-ACETYLACTEIN
Preferred Name English
2'-O-ACETYLACTEIN
Common Name English
2'-O-ACETYLACTEIN, (-)-
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23R,24R,25S,26S)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-26-HYDROXY-9,19-CYCLOLANOSTAN-3-YL, 2-ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
020NX485OR
Created by admin on Mon Mar 31 21:11:54 GMT 2025 , Edited by admin on Mon Mar 31 21:11:54 GMT 2025
PRIMARY
CAS
345968-83-4
Created by admin on Mon Mar 31 21:11:54 GMT 2025 , Edited by admin on Mon Mar 31 21:11:54 GMT 2025
PRIMARY
PUBCHEM
21592425
Created by admin on Mon Mar 31 21:11:54 GMT 2025 , Edited by admin on Mon Mar 31 21:11:54 GMT 2025
PRIMARY