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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H38O18
Molecular Weight 734.6547
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CATALPOSIDE HEXAACETATE

SMILES

[H][C@@]12C=CO[C@@H](O[C@]3([H])O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@]1([H])[C@@]4(COC(C)=O)O[C@H]4[C@H]2OC(=O)C5=CC=C(OC(C)=O)C=C5

InChI

InChIKey=YXSFGQOGWUFXCG-IFVPVEIWSA-N
InChI=1S/C34H38O18/c1-15(35)43-13-24-27(46-18(4)38)28(47-19(5)39)29(48-20(6)40)33(49-24)51-32-25-23(11-12-42-32)26(30-34(25,52-30)14-44-16(2)36)50-31(41)21-7-9-22(10-8-21)45-17(3)37/h7-12,23-30,32-33H,13-14H2,1-6H3/t23-,24-,25-,26+,27-,28+,29-,30+,32+,33+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H38O18
Molecular Weight 734.6547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:56 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:56 GMT 2023
Record UNII
3KR7P15O48
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CATALPOSIDE HEXAACETATE
MI  
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, 1A,1B,2,5A,6,6A-HEXAHYDRO-6-((4-(ACETYLOXY)BENZOYL)OXY)-1A-((ACETYLOXY)METHYL)OXIRENO(4,5)CYCLOPENTA(1,2-C)PYRAN-2-YL, TETRAACETATE, (1AS-(1A.ALPHA.,1B.BETA.,2.BETA.,5A.BETA.,6.BETA.,6A.ALPHA.))-
Common Name English
CATALPOSIDE HEXAACETATE [MI]
Common Name English
CATALPOSIDE, HEXAACETATE
Common Name English
Code System Code Type Description
MERCK INDEX
m3171
Created by admin on Sat Dec 16 08:19:56 GMT 2023 , Edited by admin on Sat Dec 16 08:19:56 GMT 2023
PRIMARY Merck Index
CAS
75559-00-1
Created by admin on Sat Dec 16 08:19:56 GMT 2023 , Edited by admin on Sat Dec 16 08:19:56 GMT 2023
PRIMARY
PUBCHEM
5705523
Created by admin on Sat Dec 16 08:19:56 GMT 2023 , Edited by admin on Sat Dec 16 08:19:56 GMT 2023
PRIMARY
FDA UNII
3KR7P15O48
Created by admin on Sat Dec 16 08:19:56 GMT 2023 , Edited by admin on Sat Dec 16 08:19:56 GMT 2023
PRIMARY