.DELTA.9-11-CANRENONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26O3
Molecular Weight	338.44
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]25CCC(=O)O5

InChI

InChIKey=MCNZISFQKMPWRJ-DOYHNPMNSA-N

InChI=1S/C22H26O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,6,13,16,18H,5,7-12H2,1-2H3/t16-,18+,20+,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H26O3
Molecular Weight	338.44
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:45:01 GMT 2025` Edited by `admin` on `Wed Apr 02 12:45:01 GMT 2025`
Record UNII	3AC47AUW33
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

17.ALPHA.-PREGNA-4,6,9(11)-TRIENE-21-CARBOXYLIC ACID, 17-HYDROXY-3-OXO-, .GAMMA.-LACTONE

Preferred Name

English

.DELTA.9-11-CANRENONE

Common Name

English

17.BETA.-HYDROXY-4,6,9(11)-TRIEN-3-ONE 21-CARBOXYLIC ACID .GAMMA.-LACTONE

Common Name

English

Code System Code Type Description

FDA UNII

3AC47AUW33

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

PRIMARY

CAS

95716-71-5

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

PRIMARY

EPA CompTox

DTXSID10469189

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

PRIMARY

PUBCHEM

11595250

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

PRIMARY