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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26O5
Molecular Weight 370.4388
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7,8-dihydro-12-oxocalanolide B, (-)-

SMILES

CCCC1=CC(=O)OC2=C1C3=C(CCC(C)(C)O3)C4=C2C(=O)[C@@H](C)[C@H](C)O4

InChI

InChIKey=DOQZDHYXBAJGFY-RYUDHWBXSA-N
InChI=1S/C22H26O5/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/h10-12H,6-9H2,1-5H3/t11-,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H26O5
Molecular Weight 370.4388
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:57:56 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:56 GMT 2023
Record UNII
ZWS7NHP8LG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7,8-dihydro-12-oxocalanolide B, (-)-
Common Name English
(10S,11S)-7,8,10,11-Tetrahydro-6,6,10,11-tetramethyl-4-propyl-2H,6H,12H-benzo[1,2-b:3,4-b′:5,6-b′′]tripyran-2,12-dione
Systematic Name English
NSC-665158
Code English
2H,6H,12H-Benzo[1,2-b:3,4-b′:5,6-b′′]tripyran-2,12-dione, 7,8,10,11-tetrahydro-6,6,10,11-tetramethyl-4-propyl-, (10S,11S)-
Systematic Name English
Code System Code Type Description
CAS
4867-21-4
Created by admin on Sat Dec 16 12:57:56 GMT 2023 , Edited by admin on Sat Dec 16 12:57:56 GMT 2023
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PUBCHEM
461794
Created by admin on Sat Dec 16 12:57:56 GMT 2023 , Edited by admin on Sat Dec 16 12:57:56 GMT 2023
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FDA UNII
ZWS7NHP8LG
Created by admin on Sat Dec 16 12:57:56 GMT 2023 , Edited by admin on Sat Dec 16 12:57:56 GMT 2023
PRIMARY
EPA CompTox
DTXSID90197574
Created by admin on Sat Dec 16 12:57:56 GMT 2023 , Edited by admin on Sat Dec 16 12:57:56 GMT 2023
PRIMARY
NSC
665158
Created by admin on Sat Dec 16 12:57:56 GMT 2023 , Edited by admin on Sat Dec 16 12:57:56 GMT 2023
PRIMARY