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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O3
Molecular Weight 318.4504
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSTEVIOL

SMILES

[H][C@@]12CC[C@@]3(C)C[C@@]1(CC3=O)CC[C@]4([H])[C@@](C)(CCC[C@@]24C)C(O)=O

InChI

InChIKey=KFVUFODCZDRVSS-XGBBNYNSSA-N
InChI=1S/C20H30O3/c1-17-9-5-14-18(2)7-4-8-19(3,16(22)23)13(18)6-10-20(14,12-17)11-15(17)21/h13-14H,4-12H2,1-3H3,(H,22,23)/t13-,14-,17-,18+,19+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H30O3
Molecular Weight 318.4504
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:45:58 UTC 2023
Edited
by admin
on Fri Dec 15 17:45:58 UTC 2023
Record UNII
091QB7QO95
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSTEVIOL
Common Name English
NSC-231875
Code English
ISO-STEVIOL
Common Name English
(-)-ISOSTEVIOL
Common Name English
KETOISOSTEVIC ACID
Common Name English
17-NORKAURAN-18-OIC ACID, 13-METHYL-16-OXO-, (4.ALPHA.,8.BETA.,13.BETA.)-
Common Name English
Code System Code Type Description
FDA UNII
091QB7QO95
Created by admin on Fri Dec 15 17:45:58 UTC 2023 , Edited by admin on Fri Dec 15 17:45:58 UTC 2023
PRIMARY
NSC
231875
Created by admin on Fri Dec 15 17:45:58 UTC 2023 , Edited by admin on Fri Dec 15 17:45:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID70950664
Created by admin on Fri Dec 15 17:45:58 UTC 2023 , Edited by admin on Fri Dec 15 17:45:58 UTC 2023
PRIMARY
MESH
C515747
Created by admin on Fri Dec 15 17:45:58 UTC 2023 , Edited by admin on Fri Dec 15 17:45:58 UTC 2023
PRIMARY
CAS
27975-19-5
Created by admin on Fri Dec 15 17:45:58 UTC 2023 , Edited by admin on Fri Dec 15 17:45:58 UTC 2023
PRIMARY
PUBCHEM
99514
Created by admin on Fri Dec 15 17:45:58 UTC 2023 , Edited by admin on Fri Dec 15 17:45:58 UTC 2023
PRIMARY
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