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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O3
Molecular Weight 454.6844
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETULONIC ACID

SMILES

[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O)C(C)=C

InChI

InChIKey=SLJTWDNVZKIDAU-SVAFSPIFSA-N
InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H46O3
Molecular Weight 454.6844
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:25:26 UTC 2023
Edited
by admin
on Thu Jul 06 20:25:26 UTC 2023
Record UNII
7C1UV6ITF5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETULONIC ACID
Common Name English
LIQUIDAMBRONIC ACID
Common Name English
LUP-20(30)-EN-28-OIC ACID, 3-OXO-
Systematic Name English
BETUNOLIC ACID
Common Name English
LUP-20(29)-EN-28-OIC ACID, 3-OXO-
Systematic Name English
NSC-152534
Code English
LIQUIDAMBARIC ACID
Common Name English
MJ-347-RS
Code English
3-OXOBETULINIC ACID
Systematic Name English
3-OXOLUP-20(29)-EN-28-OIC ACID
Systematic Name English
BETULONIC ACID, (+)-
Systematic Name English
Code System Code Type Description
PUBCHEM
122844
Created by admin on Thu Jul 06 20:25:26 UTC 2023 , Edited by admin on Thu Jul 06 20:25:26 UTC 2023
PRIMARY
FDA UNII
7C1UV6ITF5
Created by admin on Thu Jul 06 20:25:26 UTC 2023 , Edited by admin on Thu Jul 06 20:25:26 UTC 2023
PRIMARY
NSC
152534
Created by admin on Thu Jul 06 20:25:26 UTC 2023 , Edited by admin on Thu Jul 06 20:25:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID80963280
Created by admin on Thu Jul 06 20:25:26 UTC 2023 , Edited by admin on Thu Jul 06 20:25:26 UTC 2023
PRIMARY
RXCUI
2375519
Created by admin on Thu Jul 06 20:25:26 UTC 2023 , Edited by admin on Thu Jul 06 20:25:26 UTC 2023
PRIMARY
CAS
4481-62-3
Created by admin on Thu Jul 06 20:25:26 UTC 2023 , Edited by admin on Thu Jul 06 20:25:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT