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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O14.3H2O
Molecular Weight 632.5645
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOPHORABIOSIDE TRIHYDRATE

SMILES

O.O.O.[H][C@@]5(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=CC=C(C=C2)C3=COC4=CC(O)=CC(O)=C4C3=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O

InChI

InChIKey=QYZHFXQDORXCSK-JOZPDULFSA-N
InChI=1S/C27H30O14.3H2O/c1-10-19(31)22(34)24(36)26(38-10)41-25-23(35)21(33)17(8-28)40-27(25)39-13-4-2-11(3-5-13)14-9-37-16-7-12(29)6-15(30)18(16)20(14)32;;;/h2-7,9-10,17,19,21-31,33-36H,8H2,1H3;3*1H2/t10-,17+,19-,21+,22+,23-,24+,25+,26-,27+;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C27H30O14
Molecular Weight 578.5187
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:28:28 GMT 2023
Edited
by admin
on Sat Dec 16 08:28:28 GMT 2023
Record UNII
7D5602YH3F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SOPHORABIOSIDE TRIHYDRATE
MI  
Common Name English
4H-1-BENZOPYRAN-4-ONE, 3-(4-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)PHENYL)-5,7-DIHYDROXY-, TRIHYDRATE
Systematic Name English
SOPHORABIOSIDE TRIHYDRATE [MI]
Common Name English
Code System Code Type Description
PUBCHEM
91617564
Created by admin on Sat Dec 16 08:28:29 GMT 2023 , Edited by admin on Sat Dec 16 08:28:29 GMT 2023
PRIMARY
CAS
11019-10-6
Created by admin on Sat Dec 16 08:28:29 GMT 2023 , Edited by admin on Sat Dec 16 08:28:29 GMT 2023
PRIMARY
MERCK INDEX
m10114
Created by admin on Sat Dec 16 08:28:29 GMT 2023 , Edited by admin on Sat Dec 16 08:28:29 GMT 2023
PRIMARY Merck Index
FDA UNII
7D5602YH3F
Created by admin on Sat Dec 16 08:28:29 GMT 2023 , Edited by admin on Sat Dec 16 08:28:29 GMT 2023
PRIMARY
Related Record Type Details
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ANHYDROUS->SOLVATE