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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O2
Molecular Weight 236.3499
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SANTANOLIDE A

SMILES

C[C@H]1[C@@H]2CC[C@@]3(C)CCC[C@@H](C)[C@@H]3[C@H]2OC1=O

InChI

InChIKey=WBQRYRVRIMGDHU-VDVLUQLZSA-N
InChI=1S/C15H24O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h9-13H,4-8H2,1-3H3/t9-,10+,11+,12-,13+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24O2
Molecular Weight 236.3499
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 Tue Apr 01 19:51:16 GMT 2025
Edited
by admin
on Tue Apr 01 19:51:16 GMT 2025
Record UNII
R662LAR0KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-DESOXY-.ALPHA.-TETRAHYDROSANTONIN
Preferred Name English
SANTANOLIDE A
Common Name English
(3S,3AS,5AR,9R,9AS,9BS)-DECAHYDRO-3,5A,9-TRIMETHYLNAPHTHO(1,2-B)FURAN-2(3H)-ONE
Systematic Name English
NAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-3,5A,9-TRIMETHYL-, (3S-(3.ALPHA.,3A.ALPHA.,5A.BETA.,9.ALPHA.,9A.ALPHA.,9B.BETA.))-
Systematic Name English
NAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-3,5A,9-TRIMETHYL-, (3S,3AS,5AR,9R,9AS,9BS)-
Systematic Name English
EUDESMAN-12-OIC ACID, 6.ALPHA.-HYDROXY-, .GAMMA.-LACTONE, (11S)-
Systematic Name English
Code System Code Type Description
CAS
14804-52-5
Created by admin on Tue Apr 01 19:51:16 GMT 2025 , Edited by admin on Tue Apr 01 19:51:16 GMT 2025
PRIMARY
EPA CompTox
DTXSID00933288
Created by admin on Tue Apr 01 19:51:16 GMT 2025 , Edited by admin on Tue Apr 01 19:51:16 GMT 2025
PRIMARY
PUBCHEM
44146738
Created by admin on Tue Apr 01 19:51:16 GMT 2025 , Edited by admin on Tue Apr 01 19:51:16 GMT 2025
PRIMARY
FDA UNII
R662LAR0KB
Created by admin on Tue Apr 01 19:51:16 GMT 2025 , Edited by admin on Tue Apr 01 19:51:16 GMT 2025
PRIMARY