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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22O10
Molecular Weight 374.3399
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SWERTIAMARIN

SMILES

OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)OCC[C@@]3(O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=HEYZWPRKKUGDCR-QBXMEVCASA-N
InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H22O10
Molecular Weight 374.3399
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:49:36 UTC 2023
Edited
by admin
on Sat Dec 16 08:49:36 UTC 2023
Record UNII
4038595T7Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SWERTIAMARIN
MI  
Common Name English
SWERTIAMAROSIDE
Common Name English
1H,3H-PYRANO(3,4-C)PYRAN-1-ONE, 5-ETHENYL-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,4A,5,6-TETRAHYDRO-4A-HYDROXY-, (4AR,5R,6S)-
Systematic Name English
SWERTAMARIN
Common Name English
SWERTIAMARIN [MI]
Common Name English
Swertiamarin [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
100000145214
Created by admin on Sat Dec 16 08:49:36 UTC 2023 , Edited by admin on Sat Dec 16 08:49:36 UTC 2023
PRIMARY
CAS
17388-39-5
Created by admin on Sat Dec 16 08:49:36 UTC 2023 , Edited by admin on Sat Dec 16 08:49:36 UTC 2023
PRIMARY
PUBCHEM
442435
Created by admin on Sat Dec 16 08:49:36 UTC 2023 , Edited by admin on Sat Dec 16 08:49:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID50169676
Created by admin on Sat Dec 16 08:49:36 UTC 2023 , Edited by admin on Sat Dec 16 08:49:36 UTC 2023
PRIMARY
MERCK INDEX
m10410
Created by admin on Sat Dec 16 08:49:36 UTC 2023 , Edited by admin on Sat Dec 16 08:49:36 UTC 2023
PRIMARY Merck Index
EVMPD
SUB123186
Created by admin on Sat Dec 16 08:49:36 UTC 2023 , Edited by admin on Sat Dec 16 08:49:36 UTC 2023
PRIMARY
FDA UNII
4038595T7Y
Created by admin on Sat Dec 16 08:49:36 UTC 2023 , Edited by admin on Sat Dec 16 08:49:36 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT