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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYATHIN B3

SMILES

CC(C)C1=C2[C@H]3C[C@@H](O)C(C=O)=CC(=O)[C@]3(C)CC[C@@]2(C)CC1

InChI

InChIKey=HTEKHSBJKOVLAK-XNFNUYLZSA-N
InChI=1S/C20H28O3/c1-12(2)14-5-6-19(3)7-8-20(4)15(18(14)19)10-16(22)13(11-21)9-17(20)23/h9,11-12,15-16,22H,5-8,10H2,1-4H3/t15-,16-,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:53:07 GMT 2025
Edited
by admin
on Tue Apr 01 19:53:07 GMT 2025
Record UNII
5356SY72BT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYATHIN B3
Common Name English
NSC-310622
Preferred Name English
CYCLOHEPT(E)INDENE-8-CARBOXALDEHYDE, 2,3,3A,4,5,5A,6,9,10,10A-DECAHYDRO-9-HYDROXY-3A,5A-DIMETHYL-1-(1-METHYLETHYL)-6-OXO-, (3AR,5AR,9R,10AR)-
Systematic Name English
(3AR,5AR,9R,10AR)-2,3,3A,4,5,5A,6,9,10,10A-DECAHYDRO-9-HYDROXY-3A,5A-DIMETHYL-1-(1-METHYLETHYL)-6-OXOCYCLOHEPT(E)INDENE-8-CARBOXALDEHYDE
Systematic Name English
CYATHIN-B3
Common Name English
Code System Code Type Description
PUBCHEM
102117112
Created by admin on Tue Apr 01 19:53:07 GMT 2025 , Edited by admin on Tue Apr 01 19:53:07 GMT 2025
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FDA UNII
5356SY72BT
Created by admin on Tue Apr 01 19:53:07 GMT 2025 , Edited by admin on Tue Apr 01 19:53:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID80317087
Created by admin on Tue Apr 01 19:53:07 GMT 2025 , Edited by admin on Tue Apr 01 19:53:07 GMT 2025
PRIMARY
NSC
310622
Created by admin on Tue Apr 01 19:53:07 GMT 2025 , Edited by admin on Tue Apr 01 19:53:07 GMT 2025
PRIMARY
CAS
51727-84-5
Created by admin on Tue Apr 01 19:53:07 GMT 2025 , Edited by admin on Tue Apr 01 19:53:07 GMT 2025
PRIMARY