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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H22O4
Molecular Weight 422.4719
Optical Activity NONE
Additional Stereochemistry Yes
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments AXIAL, (14R,16S)-

SHOW SMILES / InChI
Structure of CAVICULARIN

SMILES

OC1=CC2=C(C=C1)C3=CC4=C(CCC5=C4C(OC6=CC=C(CC2)C=C6)=C(O)C=C5)C=C3O

InChI

InChIKey=MCFLLKAHGNIXPF-UHFFFAOYSA-N
InChI=1S/C28H22O4/c29-20-8-11-22-18(13-20)4-1-16-2-9-21(10-3-16)32-28-25(30)12-7-17-5-6-19-14-26(31)24(22)15-23(19)27(17)28/h2-3,7-15,29-31H,1,4-6H2

HIDE SMILES / InChI

Molecular Formula C28H22O4
Molecular Weight 422.4719
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:57:13 GMT 2025
Edited
by admin
on Wed Apr 02 06:57:13 GMT 2025
Record UNII
B6Y87G6TOX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-CAVICULARIN
Preferred Name English
CAVICULARIN
Common Name English
CAVICULARIN [MI]
Common Name English
(14AR,16AS)-9,10,18,19-TETRAHYDRO-5,8:15,17-DIETHENOBENZO(G)NAPHTH(1,8-BC)OXACYCLOTETRADECIN-3,12,21-TRIOL
Systematic Name English
5,8:15,17-DIETHENOBENZO(G)NAPHTH(1,8-BC)OXACYCLOTETRADECIN-3,12,21-TRIOL, 9,10,18,19-TETRAHYDRO-, (14AR,16AS)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Cavicularin
Created by admin on Wed Apr 02 06:57:13 GMT 2025 , Edited by admin on Wed Apr 02 06:57:13 GMT 2025
PRIMARY
MERCK INDEX
m11850
Created by admin on Wed Apr 02 06:57:13 GMT 2025 , Edited by admin on Wed Apr 02 06:57:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID70745431
Created by admin on Wed Apr 02 06:57:13 GMT 2025 , Edited by admin on Wed Apr 02 06:57:13 GMT 2025
PRIMARY
PUBCHEM
11316166
Created by admin on Wed Apr 02 06:57:13 GMT 2025 , Edited by admin on Wed Apr 02 06:57:13 GMT 2025
PRIMARY
FDA UNII
B6Y87G6TOX
Created by admin on Wed Apr 02 06:57:13 GMT 2025 , Edited by admin on Wed Apr 02 06:57:13 GMT 2025
PRIMARY
CAS
178734-41-3
Created by admin on Wed Apr 02 06:57:13 GMT 2025 , Edited by admin on Wed Apr 02 06:57:13 GMT 2025
PRIMARY
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