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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22O3
Molecular Weight 250.3334
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ARBUSCULIN A

SMILES

[H][C@@]12CC[C@@]3(C)CCC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)C2=C

InChI

InChIKey=BVRDNJZFYKHRJQ-CWFCOSEVSA-N
InChI=1S/C15H22O3/c1-9-10-5-8-14(2)6-4-7-15(3,17)12(14)11(10)18-13(9)16/h10-12,17H,1,4-8H2,2-3H3/t10-,11-,12+,14+,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H22O3
Molecular Weight 250.3334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:04:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:04:09 GMT 2023
Record UNII
5ML8H8S9IS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ARBUSCULIN A
Common Name English
ARBUSCULIN-A
Common Name English
NAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-9-HYDROXY-5A,9-DIMETHYL-3-METHYLENE-, (3AS,5AR,9R,9AS,9BS)-
Systematic Name English
(+)-ARBUSCULIN A
Common Name English
4.ALPHA.H-EUDESM-11(13)-EN-12-OIC ACID, 4,6.ALPHA.-DIHYDROXY-, .GAMMA.-LACTONE
Systematic Name English
NAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-9-HYDROXY-5A,9-DIMETHYL-3-METHYLENE-, (3AS-(3A.ALPHA.,5A.BETA.,9.ALPHA.,9A.ALPHA.,9B.BETA.))-
Systematic Name English
Code System Code Type Description
PUBCHEM
160153
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
CAS
27652-22-8
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
FDA UNII
5ML8H8S9IS
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
CHEBI
2805
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID50950304
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY