U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30O7
Molecular Weight 406.4694
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMAROLIDE 2-ACETATE

SMILES

[H][C@]12C[C@@]3([H])[C@H](C)C[C@H](OC(C)=O)C(=O)[C@]3(C)[C@@]4([H])[C@H](O)C(=O)[C@H](C)[C@]([H])(CC(=O)O1)[C@]24C

InChI

InChIKey=YOYADNDGFPEXPI-WGRRCHGUSA-N
InChI=1S/C22H30O7/c1-9-6-14(28-11(3)23)20(27)22(5)12(9)7-15-21(4)13(8-16(24)29-15)10(2)17(25)18(26)19(21)22/h9-10,12-15,18-19,26H,6-8H2,1-5H3/t9-,10-,12+,13+,14+,15-,18-,19+,21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30O7
Molecular Weight 406.4694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:06:09 GMT 2023
Edited
by admin
on Sat Dec 16 09:06:09 GMT 2023
Record UNII
38637N559X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMAROLIDE 2-ACETATE
Common Name English
PHENANTHRO(10,1-BC)PYRAN-2,5,11(1H,3H,4H)-TRIONE, 3A.ALPHA.,6A.ALPHA.,7,7A.BETA.,8,9,10,11A,11B.BETA.,11C-DECAHYDRO-1.BETA.,10.BETA.-DIHYDROXY-3.BETA.,8.BETA.,11A.ALPHA.,11C.ALPHA.-TETRAMETHYL-, 10-ACETATE
Systematic Name English
PICRASANE-1,12,16-TRIONE, 2-(ACETYLOXY)-11-HYDROXY-, (2.ALPHA.,11.ALPHA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72710706
Created by admin on Sat Dec 16 09:06:09 GMT 2023 , Edited by admin on Sat Dec 16 09:06:09 GMT 2023
PRIMARY
CAS
29913-89-1
Created by admin on Sat Dec 16 09:06:09 GMT 2023 , Edited by admin on Sat Dec 16 09:06:09 GMT 2023
PRIMARY
FDA UNII
38637N559X
Created by admin on Sat Dec 16 09:06:09 GMT 2023 , Edited by admin on Sat Dec 16 09:06:09 GMT 2023
PRIMARY