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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21ClO6
Molecular Weight 404.841
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MOLLICELLIN D

SMILES

CC(C)=CCC1=C(O)C=C2OC3=C(CO)C(O)=C(Cl)C(C)=C3C(=O)OC2=C1C

InChI

InChIKey=AINFZKIGIQBKDM-UHFFFAOYSA-N
InChI=1S/C21H21ClO6/c1-9(2)5-6-12-10(3)19-15(7-14(12)24)27-20-13(8-23)18(25)17(22)11(4)16(20)21(26)28-19/h5,7,23-25H,6,8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H21ClO6
Molecular Weight 404.841
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 Fri Dec 15 17:50:35 GMT 2023
Edited
by admin
on Fri Dec 15 17:50:35 GMT 2023
Record UNII
AB983U35T0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MOLLICELLIN D
Common Name English
11H-DIBENZO(B,E)(1,4)DIOXEPIN-11-ONE, 2-CHLORO-3,7-DIHYDROXY-4-(HYDROXYMETHYL)-1,9-DIMETHYL-8-(3-METHYL-2-BUTEN-1-YL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10218573
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY
FDA UNII
AB983U35T0
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY
PUBCHEM
152840
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY
CAS
68455-11-8
Created by admin on Fri Dec 15 17:50:35 GMT 2023 , Edited by admin on Fri Dec 15 17:50:35 GMT 2023
PRIMARY