CB-03-04

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H34O5
Molecular Weight	414.5345
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)CC=C3[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=IMSKTQNPYUKZMB-AMMWCUJOSA-N

InChI=1S/C25H34O5/c1-4-5-22(29)30-25(21(28)15-26)13-10-20-18-7-6-16-14-17(27)8-11-23(16,2)19(18)9-12-24(20,25)3/h9,14,18,20,26H,4-8,10-13,15H2,1-3H3/t18-,20+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H34O5
Molecular Weight	414.5345
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:30:47 GMT 2023` Edited by `admin` on `Sat Dec 16 10:30:47 GMT 2023`
Record UNII	88D1Y5GBH5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CB-03-04

Common Name

English

PREGNA-4,9(11)-DIENE-3,20-DIONE, 21-HYDROXY-17-(1-OXOBUTOXY)-

Systematic Name

English

9,11-DEHYDROCORTEXOLONE 17.ALPHA.-BUTYRATE

Systematic Name

English

CB-0304

Code

English

Code System Code Type Description

EPA CompTox

DTXSID501191403