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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H29ClO2
Molecular Weight 336.896
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSTEVIOL CHLORIDE

SMILES

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

InChI

InChIKey=LPGLPWPIKNOWEZ-XGBBNYNSSA-N
InChI=1S/C20H29ClO2/c1-17-9-5-14-18(2)7-4-8-19(3,16(21)23)13(18)6-10-20(14,12-17)11-15(17)22/h13-14H,4-12H2,1-3H3/t13-,14-,17-,18+,19+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H29ClO2
Molecular Weight 336.896
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 Sat Dec 16 18:41:21 GMT 2023
Edited
by admin
on Sat Dec 16 18:41:21 GMT 2023
Record UNII
2Z98657P4T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOSTEVIOL CHLORIDE
Common Name English
17-NORKAURAN-18-OYL CHLORIDE, 13-METHYL-16-OXO-, (4.ALPHA.)-
Common Name English
(1R,4S,5R,9S,10R,13S)-5,9,13-TRIMETHYL-14-OXOTETRACYCLO(11.2.1.01,10.04,9)HEXADECANE-5-CARBONYL CHLORIDE
Systematic Name English
(4.ALPHA.,8.BETA.,13.BETA.)-13-METHYL-16-OXO-17-NORKAURANE-18-CARBOXYLIC ACID CHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
2Z98657P4T
Created by admin on Sat Dec 16 18:41:21 GMT 2023 , Edited by admin on Sat Dec 16 18:41:21 GMT 2023
PRIMARY
PUBCHEM
102348545
Created by admin on Sat Dec 16 18:41:21 GMT 2023 , Edited by admin on Sat Dec 16 18:41:21 GMT 2023
PRIMARY
CAS
317384-91-1
Created by admin on Sat Dec 16 18:41:21 GMT 2023 , Edited by admin on Sat Dec 16 18:41:21 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT