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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O5
Molecular Weight 372.4547
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROCOSTATOLIDE

SMILES

CCCC1=CC(=O)OC2=C1C3=C(CCC(C)(C)O3)C4=C2[C@@H](O)[C@@H](C)[C@H](C)O4

InChI

InChIKey=YPUTYHJWWMYIGF-PZROIBLQSA-N
InChI=1S/C22H28O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h10-12,18,24H,6-9H2,1-5H3/t11-,12-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28O5
Molecular Weight 372.4547
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:21:33 GMT 2025
Edited
by admin
on Mon Mar 31 22:21:33 GMT 2025
Record UNII
S7KKP6V9WY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIHYDROCOSTATOLIDE
Common Name English
NSC-661123
Preferred Name English
Dihydro-(-)-calandolide B
Common Name English
(10S,11R,12S)-7,8,11,12-Tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-2H,6H,10H-benzo[1,2-b:3,4-b?:5,6-b??]tripyran-2-one
Systematic Name English
2H,6H,10H-Benzo[1,2-b:3,4-b?:5,6-b??]tripyran-2-one, 7,8,11,12-tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10S,11R,12S)-
Systematic Name English
2H,6H,10H-Benzo[1,2-b:3,4-b?:5,6-b??]tripyran-2-one, 7,8,11,12-tetrahydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, [10S-(10?,11?,12?)]-
Systematic Name English
Code System Code Type Description
PUBCHEM
65061
Created by admin on Mon Mar 31 22:21:33 GMT 2025 , Edited by admin on Mon Mar 31 22:21:33 GMT 2025
PRIMARY
FDA UNII
S7KKP6V9WY
Created by admin on Mon Mar 31 22:21:33 GMT 2025 , Edited by admin on Mon Mar 31 22:21:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID10920088
Created by admin on Mon Mar 31 22:21:33 GMT 2025 , Edited by admin on Mon Mar 31 22:21:33 GMT 2025
PRIMARY
CAS
909-13-7
Created by admin on Mon Mar 31 22:21:33 GMT 2025 , Edited by admin on Mon Mar 31 22:21:33 GMT 2025
PRIMARY
NSC
661123
Created by admin on Mon Mar 31 22:21:33 GMT 2025 , Edited by admin on Mon Mar 31 22:21:33 GMT 2025
PRIMARY