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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32O7
Molecular Weight 456.5281
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASSAFOETIDNOL B

SMILES

[H][C@]12[C@H](O)[C@@H](O)C(=C)[C@H](COC3=CC4=C(C=CC(=O)O4)C=C3)[C@]1(C)CC[C@H](OC(C)=O)C2(C)C

InChI

InChIKey=CKPWNMFJQJVNER-DVITTYBWSA-N
InChI=1S/C26H32O7/c1-14-18(13-31-17-8-6-16-7-9-21(28)33-19(16)12-17)26(5)11-10-20(32-15(2)27)25(3,4)24(26)23(30)22(14)29/h6-9,12,18,20,22-24,29-30H,1,10-11,13H2,2-5H3/t18-,20-,22-,23+,24+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H32O7
Molecular Weight 456.5281
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 22:08:35 GMT 2023
Edited
by admin
on Fri Dec 15 22:08:35 GMT 2023
Record UNII
18842MRL1M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ASSAFOETIDNOL B
Common Name English
2H-1-BENZOPYRAN-2-ONE, 7-(((1R,3S,4S,4AS,6S,8AS)-6-(ACETYLOXY)DECAHYDRO-3,4-DIHYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-1-NAPHTHALENYL)METHOXY)-
Common Name English
Code System Code Type Description
FDA UNII
18842MRL1M
Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023
PRIMARY
CAS
403642-11-5
Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID30193353
Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023
PRIMARY
PUBCHEM
636584
Created by admin on Fri Dec 15 22:08:35 GMT 2023 , Edited by admin on Fri Dec 15 22:08:35 GMT 2023
PRIMARY